Mrv1652304272019242D          

 10 10  0  0  0  0            999 V2000
    0.8250   -1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.0000    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   -0.7144    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 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
   -0.8250    1.4290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
M  END
> <DATABASE_ID>
CDB006055

> <DATABASE_NAME>
CDB

> <SMILES>
CN1CC(C)=CN(C)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C7H12N2O/c1-6-4-8(2)7(10)9(3)5-6/h4H,5H2,1-3H3

> <INCHI_KEY>
QKRNBHSNWHTVGC-UHFFFAOYSA-N

> <FORMULA>
C7H12N2O

> <MOLECULAR_WEIGHT>
140.186

> <EXACT_MASS>
140.094963014

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_POLARIZABILITY>
15.414350257852869

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,3,5-trimethyl-1,2,3,4-tetrahydropyrimidin-2-one

> <ALOGPS_LOGP>
-0.41

> <JCHEM_LOGP>
-0.09665302066666645

> <ALOGPS_LOGS>
0.48

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-5.675080249796319

> <JCHEM_POLAR_SURFACE_AREA>
23.55

> <JCHEM_REFRACTIVITY>
39.890499999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.28e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,3,5-trimethyl-4H-pyrimidin-2-one

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB006055

> <GENERIC_NAME>
1,3,5-Trimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine

$$$$