Mrv1652304272018252D          

  8  8  0  0  0  0            999 V2000
   -2.0625    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  2  3  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB005486

> <DATABASE_NAME>
CDB

> <SMILES>
CN=C1NC=CC=N1

> <INCHI_IDENTIFIER>
InChI=1S/C5H7N3/c1-6-5-7-3-2-4-8-5/h2-4H,1H3,(H,6,7,8)

> <INCHI_KEY>
BQNXHDSGGRTFNX-UHFFFAOYSA-N

> <FORMULA>
C5H7N3

> <MOLECULAR_WEIGHT>
109.132

> <EXACT_MASS>
109.063997237

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
11.190287904044824

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-(1,2-dihydropyrimidin-2-ylidene)methanamine

> <ALOGPS_LOGP>
-0.01

> <JCHEM_LOGP>
-0.232668869

> <ALOGPS_LOGS>
-1.31

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.64008165773877

> <JCHEM_PKA_STRONGEST_BASIC>
3.602442711542243

> <JCHEM_POLAR_SURFACE_AREA>
36.75

> <JCHEM_REFRACTIVITY>
32.2326

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.34e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-(1H-pyrimidin-2-ylidene)methanamine

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB005486

> <GENERIC_NAME>
2-Methylaminopyrimidine

$$$$