Showing Compound Card for Diazinon (CDB006200)

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Record Information
Version1.0
Created at2020-07-28 20:15:22 UTC
Updated at2020-12-07 19:12:20 UTC
CannabisDB IDCDB006200
Secondary Accession NumbersNot Available
Cannabis Compound Identification
Common NameDiazinon
DescriptionDiazinon, also known as dimpylate or new Z diazinon, belongs to the class of organic compounds known as pyrimidinyl phosphorothioates. These are organic compounds containing the thiophosphoric acid functional group or a derivative thereof, with the general structure ROP(OR')(OR'')=S, where R= pyrimidine, R' = organyl group , and R\" = any atom. Based on a literature review a small amount of articles have been published on Diazinon.
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
DimpylateChEBI
O,O-Diethyl 2-isopropyl-4-methylpyrimidyl-6-thiophosphateChEBI
O,O-Diethyl O-(2-isopropyl-4-methyl-6-pyrimidyl) thionophosphateChEBI
O,O-Diethyl O-(2-isopropyl-6-methyl-4-pyrimidinyl) phosphorothioateChEBI
O,O-Diethyl O-[6-methyl-2-(1-methylethyl)pyrimidin-4-yl] thiophosphateChEBI
Phosphorothioic acid, O,O-diethyl O-(6-methyl-2-(1-methylethyl)-4-pyrimidinyl) esterChEBI
New Z diazinonKegg
Optimizer insecticideKegg
Dimpylic acidGenerator
O,O-Diethyl 2-isopropyl-4-methylpyrimidyl-6-thiophosphoric acidGenerator
O,O-Diethyl O-(2-isopropyl-4-methyl-6-pyrimidyl) thionophosphoric acidGenerator
O,O-Diethyl O-(2-isopropyl-6-methyl-4-pyrimidinyl) phosphorothioic acidGenerator
O,O-Diethyl O-[6-methyl-2-(1-methylethyl)pyrimidin-4-yl] thiophosphoric acidGenerator
Phosphorothioate, O,O-diethyl O-(6-methyl-2-(1-methylethyl)-4-pyrimidinyl) esterGenerator
BazudineMeSH
NeocidolMeSH
NeotsidolMeSH
Agridin 60HMDB
Alfa-toxHMDB
AntigalHMDB
AntlakHMDB
BassadinonHMDB
BasudinHMDB
BazudenHMDB
BazudinHMDB
CiazinonHMDB
CompassHMDB
DacutoxHMDB
DassitoxHMDB
DazzelHMDB
DelzinonHMDB
DiagranHMDB
DianonHMDB
DiazideHMDB
DiazinoneHMDB
DiazitolHMDB
DiazolHMDB
DicidHMDB
Diethyl 2-isopropyl-4-methyl-6-pyrimidyl thionophosphateHMDB
Diethyl dimpylatumHMDB
Dimpylate, innHMDB
DipofeneHMDB
DisonexHMDB
DizictolHMDB
DiziktolHMDB
DizinilHMDB
DizinonHMDB
DrawizonHMDB
DyzolHMDB
EktobandHMDB
ExodinHMDB
FezudinHMDB
FlytrolHMDB
GalesanHMDB
GardentoxHMDB
Isopropylmethylpyrimidyl diethyl thiophosphateHMDB
KayazinonHMDB
KayazolHMDB
Knox-outHMDB
MeodinonHMDB
NedcidolHMDB
NeodinonHMDB
NipsanHMDB
NucidolHMDB
OleodiazinonHMDB
OptimizerHMDB
Root guardHMDB
SarolexHMDB
SpectracideHMDB
SpertacideHMDB
SrolexHMDB
TerminatorHMDB
Chemical FormulaC12H21N2O3PS
Average Molecular Weight304.346
Monoisotopic Molecular Weight304.10104975
IUPAC NameO,O-diethyl O-6-methyl-2-(propan-2-yl)pyrimidin-4-yl phosphorothioate
Traditional Namediazinon
CAS Registry Number333-41-5
SMILES
CCOP(=S)(OCC)OC1=NC(=NC(C)=C1)C(C)C
InChI Identifier
InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3
InChI KeyFHIVAFMUCKRCQO-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyrimidinyl phosphorothioates. These are organic compounds containing the thiophosphoric acid functional group or a derivative thereof, with the general structure ROP(OR')(OR'')=S, where R= pyrimidine, R' = organyl group , and R\" = any atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassOrganic thiophosphoric acids and derivatives
Sub ClassThiophosphoric acid esters
Direct ParentPyrimidinyl phosphorothioates
Alternative Parents
Substituents
  • Pyrimidinyl phosphorothioate
  • Thiophosphate triester
  • Pyrimidine
  • Heteroaromatic compound
  • Azacycle
  • Organoheterocyclic compound
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effect

Health effect:

Disposition

Route of exposure:

Biological location:

Source:

Role

Industrial application:

Environmental role:

Biological role:

Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting Point< 25°CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.04 mg/mL at 25°CNot Available
logPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP4.45ALOGPS
logP4.19ChemAxon
logS-3.9ALOGPS
pKa (Strongest Basic)4.19ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area53.47 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity80.76 m³·mol⁻¹ChemAxon
Polarizability31.48 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
EI-MSMass Spectrum (Electron Ionization)splash10-0fbi-7920000000-dce70eb9e413a5f2e1a22014-09-20View Spectrum
GC-MSDiazinon, non-derivatized, GC-MS Spectrumsplash10-0ufr-3931000000-a70584cb463b92093849Spectrum
GC-MSDiazinon, non-derivatized, GC-MS Spectrumsplash10-0ufr-3931000000-a70584cb463b92093849Spectrum
Predicted GC-MSDiazinon, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-03g1-2390000000-64dc2c6900828222f0d0Spectrum
Predicted GC-MSDiazinon, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
TypeDescriptionSplash KeyView
MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF , positivesplash10-0a4i-0009000000-d239df985b8529964c592017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF , positivesplash10-0ldi-0915000000-ced91e8448a6f8b1969d2017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF , positivesplash10-0gb9-0900000000-48faf44580abfbba15e22017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF , positivesplash10-0gb9-0900000000-109fa8436bb829f5f4812017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF , positivesplash10-0gb9-0900000000-49a403503b8e1237dddc2017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-0gb9-0900000000-373a091bd4e337f273ac2017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-0a4i-0009000000-25cf20e874bc51155b112017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-0pvi-0905000000-89807ca393822677be3e2017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-0gb9-0900000000-95716b221cd9e83e7d052017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-0gb9-1900000000-3772ba2a27f51803e58a2017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-0uxs-4900000000-ce1c6d19b36209036e3a2017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-0w2a-6900000000-8011c485731c42bd49f72017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-0a4i-0009000000-e92acd83cf908233bd112017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-0aor-0905000000-54dc7dc28ca7ec93789e2017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-0gb9-0900000000-cf4033176e3d7c36c5892017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-0gb9-1900000000-cb95f2a89d6871b4c0f52017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-0uxs-3900000000-8d43918e6bdf5a7918272017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-0w2a-7900000000-37289512a80be0d06b702017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-0gb9-0900000000-c242d24704a15f911a562017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-0gb9-1900000000-fde2fd32fffda1ea93002017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-0uxs-3900000000-45cba0af187739d415942017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-0gb9-0900000000-092c7381e77775c2bc1b2017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - , positivesplash10-0gb9-4900000000-331cd31f4c4183b8f4e92017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-QFT , positivesplash10-0aor-0906000000-f67144c408283733b2f32017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - 60V, Positivesplash10-0gb9-1900000000-d4cd9b399d1f5fe8018b2021-09-20View Spectrum
NMR
TypeDescriptionView
1D NMR1H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)Spectrum
1D NMR13C NMR Spectrum (1D, 100.40 MHz, CDCl3, experimental)Spectrum
Pathways
Pathways
Protein Targets
EnzymesNot Available
TransportersNot Available
Metal BindingsNot Available
ReceptorsNot Available
Transcriptional FactorsNot Available
Concentrations Data
Not Available
HMDB IDHMDB0032943
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB010928
KNApSAcK IDNot Available
Chemspider ID2909
KEGG Compound IDC14324
BioCyc IDCPD-8965
BiGG IDNot Available
Wikipedia LinkDiazinon
METLIN IDNot Available
PubChem Compound3017
PDB IDNot Available
ChEBI ID34682
References
General References
  1. Taylor A, Birkett JW: Pesticides in cannabis: A review of analytical and toxicological considerations. Drug Test Anal. 2020 Feb;12(2):180-190. doi: 10.1002/dta.2747. Epub 2020 Jan 19. [PubMed:31834671 ]