Molecule ID: 439898

IUPAC Name: 5-(cyclohexen-1-yl)-1-hydroxy-3,5-dimethyl-1,3-diazinane-2,4,6-trione

Description: The molecule is a member of the class of barbiturates that is pyrimidine-2,4,6(1H,3H,5H)-trione substituted by a cyclohex-1-en-1-yl group at position 5, a hydroxy group at position 1 and methyl groups at positions 3 and 5.

SMILES: CN1C(=O)N(O)C(=O)C(C)(C2=CCCCC2)C1=O

SELFIES: [C][N][C][=Branch1][C][=O][N][Branch1][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][=Branch2][C][=C][C][C][C][C][Ring1][=Branch1][C][Ring1][S][=O]

InChI: InChI=1S/C12H16N2O4/c1-12(8-6-4-3-5-7-8)9(15)13(2)11(17)14(18)10(12)16/h6,18H,3-5,7H2,1-2H3

Molecular Properties:
- Polar Surface Area: 77.9 Ų
- LogP: 1.2