Mrv1652304272019252D          

 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
   -0.8250    1.4290    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
   -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
   -1.6500    0.0000    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  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  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>
CDB006056

> <DATABASE_NAME>
CDB

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

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

> <INCHI_KEY>
ZXDMYRZMGPHULW-UHFFFAOYSA-N

> <FORMULA>
C7H12N2O

> <MOLECULAR_WEIGHT>
140.186

> <EXACT_MASS>
140.094963014

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_POLARIZABILITY>
15.342548700763011

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,3,6-trimethyl-1,2,3,4-tetrahydropyrimidin-2-one

> <ALOGPS_LOGP>
0.69

> <JCHEM_LOGP>
-0.2676749156666667

> <ALOGPS_LOGS>
0.64

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-5.8024725601736

> <JCHEM_POLAR_SURFACE_AREA>
23.55

> <JCHEM_REFRACTIVITY>
41.4276

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.10e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,3,4-trimethyl-6H-pyrimidin-2-one

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB006056

> <GENERIC_NAME>
1,3,6-Trimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine

$$$$