| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:25:29 UTC |
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| Updated at | 2021-01-04 20:37:44 UTC |
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| CannabisDB ID | CDB005487 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | N-Methylpyrimidin-5-amine |
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| Description | N-Methylpyrimidin-5-amine or 5-Methylaminopyrimidine, belongs to the class of organic compounds known as aminopyrimidines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. N-Methylpyrimidin-5-amine is one of several isomers of methylaminopyrimidine wherein the methylamino group is located at different positions around the pyrmidine ring. N-Methylpyrimidin-5-amine is formed during the combustion of cannabis and is therefore a constituent of cannabis smoke ( Ref:DOI ). |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C5H7N3 |
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| Average Molecular Weight | 109.13 |
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| Monoisotopic Molecular Weight | 109.064 |
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| IUPAC Name | N-methylpyrimidin-5-amine |
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| Traditional Name | N-methylpyrimidin-5-amine |
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| CAS Registry Number | 40492-24-8 |
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| SMILES | CNC1=CN=CN=C1 |
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| InChI Identifier | InChI=1S/C5H7N3/c1-6-5-2-7-4-8-3-5/h2-4,6H,1H3 |
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| InChI Key | XGFYAAUZMZFRRN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Diazines |
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| Sub Class | Pyrimidines and pyrimidine derivatives |
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| Direct Parent | Aminopyrimidines and derivatives |
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| Alternative Parents | |
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| Substituents | - Secondary aliphatic/aromatic amine
- Aminopyrimidine
- Heteroaromatic compound
- Azacycle
- Secondary amine
- Organic nitrogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Amine
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Not Available |
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| Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | logP | Not Available | Not Available |
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| Predicted Properties | [] |
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