Mrv1652304272019192D          

 11 12  0  0  0  0            999 V2000
   -1.4521   -1.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4521   -1.7540    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
    0.0000   -1.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6674   -1.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6674   -1.4991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2 11  1  0  0  0  0
  3  7  2  0  0  0  0
  3  9  1  0  0  0  0
  4  6  2  0  0  0  0
  4 11  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
> <DATABASE_ID>
CDB006003

> <DATABASE_NAME>
CDB

> <SMILES>
CN1C=C(C)C2=NC=NC=C12

> <INCHI_IDENTIFIER>
InChI=1S/C8H9N3/c1-6-4-11(2)7-3-9-5-10-8(6)7/h3-5H,1-2H3

> <INCHI_KEY>
LHJWZCZCZDYBAX-UHFFFAOYSA-N

> <FORMULA>
C8H9N3

> <MOLECULAR_WEIGHT>
147.181

> <EXACT_MASS>
147.079647302

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_POLARIZABILITY>
15.777110832184762

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5,7-dimethyl-5H-pyrrolo[3,2-d]pyrimidine

> <ALOGPS_LOGP>
0.61

> <JCHEM_LOGP>
1.2714452296666665

> <ALOGPS_LOGS>
-1.88

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
2.2968247781034727

> <JCHEM_POLAR_SURFACE_AREA>
30.71

> <JCHEM_REFRACTIVITY>
43.3747

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.92e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,7-dimethylpyrrolo[3,2-d]pyrimidine

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB006003

> <GENERIC_NAME>
5,7-Dimethylpyrrolo[3,2-d]pyrimidine

$$$$