Molecule ID: 1855

IUPAC Name: 6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methyl-1H-pyrimidine-2,4-dione

Description: The molecule is a pyrimidone that is thymine in which the hydrogen at position 6 is substituted by a 1,3-dihydroxyisobutyl group. It derives from a thymine.

SMILES: Cc1c(O)nc(O)nc1CC(CO)CO

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

InChI: InChI=1S/C9H14N2O4/c1-5-7(2-6(3-12)4-13)10-9(15)11-8(5)14/h6,12-13H,2-4H2,1H3,(H2,10,11,14,15)

Molecular Properties:
- Polar Surface Area: 98.7 Ų
- LogP: -1.4