Molecule ID: 76292

IUPAC Name: 2-amino-3-methyl-7H-purin-6-one

Description: The molecule is a 3-methylguanine that is 3,7-dihydro-6H-purin-6-one substituted by an amino group at position 2 and a methyl group at position 3. It is a tautomer of a 2-amino-3-methyl-3,9-dihydro-6H-purin-6-one and a 2-imino-3-methyl-1,2,3,9-tetrahydro-6H-purin-6-one.

SMILES: Cn1c(=N)nc(O)c2nc[nH]c21

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

InChI: InChI=1S/C6H7N5O/c1-11-4-3(8-2-9-4)5(12)10-6(11)7/h2H,1H3,(H,8,9)(H2,7,10,12)

Molecular Properties:
- Polar Surface Area: 87.4 Ų
- LogP: -0.9