Molecule ID: 1865

IUPAC Name: 6-(3-hydroxypropyl)-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 3-hydroxypropyl group. It is a pyrimidone and a primary alcohol. It derives from a thymine.

SMILES: Cc1c(O)nc(O)nc1CCCO

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

InChI: InChI=1S/C8H12N2O3/c1-5-6(3-2-4-11)9-8(13)10-7(5)12/h11H,2-4H2,1H3,(H2,9,10,12,13)

Molecular Properties:
- Polar Surface Area: 78.4 Ų
- LogP: -0.7