Molecule ID: 65275

IUPAC Name: 6-methoxy-7H-purin-2-amine

Description: The molecule is a methylguanine in which the methyl group is positioned on the oxygen at position 6. Formed in DNA by alkylation of the oxygen atom of guanine, most often by N-nitroso compounds and sometimes due to methylation by other compounds such as endogenous S-adenosylmethionine, it base-pairs to thymine rather than cytidine, causing a G:C to A:T transition in DNA. It has a role as a mutagen.

SMILES: COc1nc(=N)[nH]c2[nH]cnc12

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

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

Molecular Properties:
- Polar Surface Area: 89.7 Ų
- LogP: -0.2