Molecule ID: 16559

IUPAC Name: 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione

Description: The molecule is a cyclopentapyrimidine that is 6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione substituted by a cyclohexyl group at position 3. It has a role as an environmental contaminant, a xenobiotic, a herbicide and an agrochemical.

SMILES: O=c1c2c(nc(O)n1C1CCCCC1)CCC2

SELFIES: [O][=C][C][=C][Branch1][P][N][=C][Branch1][C][O][N][Ring1][#Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][Ring1][#C]

InChI: InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)

Molecular Properties:
- Polar Surface Area: 49.4 Ų
- LogP: 1.7