Molecule ID: 135764911

IUPAC Name: 2-amino-7-(1,2-dihydroxypropyl)-3H-pteridin-4-one

Description: The molecule is a member of the class of biopterins that consists of pterin bearing amino, oxo and 1,2-dihydroxypropyl substituents at positions 2, 4 and 7 respectively. It has a role as a metabolite.

SMILES: CC(O)C(O)c1cnc2c(O)nc(=N)[nH]c2n1

SELFIES: [C][C][Branch1][C][O][C][Branch1][C][O][C][=C][N][=C][C][Branch1][C][O][=N][C][=Branch1][C][=N][NH1][C][Ring1][Branch2][=N][Ring1][N]

InChI: InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-5-7(12-4)13-9(10)14-8(5)17/h2-3,6,15-16H,1H3,(H3,10,12,13,14,17)

Molecular Properties:
- Polar Surface Area: 134.0 Ų
- LogP: -2.4