Mrv1652305261923522D          

 10 10  0  0  0  0            999 V2000
   16.3074   -5.1012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1654   -5.1012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7365   -5.1012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.0220   -3.8638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.0220   -4.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4509   -4.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7365   -3.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4509   -3.8638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7365   -5.9262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3074   -3.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  2  6  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
> <DATABASE_ID>
FDB022866

> <DATABASE_NAME>
foodb

> <SMILES>
CN1C=CC(=O)N(C)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H8N2O2/c1-7-4-3-5(9)8(2)6(7)10/h3-4H,1-2H3

> <INCHI_KEY>
JSDBKAHWADVXFU-UHFFFAOYSA-N

> <FORMULA>
C6H8N2O2

> <MOLECULAR_WEIGHT>
140.1399

> <EXACT_MASS>
140.05857751

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
18

> <JCHEM_AVERAGE_POLARIZABILITY>
13.446757625263496

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

> <ALOGPS_LOGP>
-0.81

> <JCHEM_LOGP>
-0.40793886866666684

> <ALOGPS_LOGS>
0.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.914477882620596

> <JCHEM_POLAR_SURFACE_AREA>
40.620000000000005

> <JCHEM_REFRACTIVITY>
35.762699999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.70e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,3-dimethyluracil

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB022866

> <GENERIC_NAME>
1,3-Dimethyluracil

$$$$