Compound: 20535-83-5
SMILES: O(c1nc(nc2c1[nH]cn2)N)C
InChIKey: BXJHWYVXLGLDMZ-UHFFFAOYSA-N
Synonyms: 20535-83-5, 6-Methoxyguanine, 6-O-Methylguanine, 6-Methoxy-7H-purin-2-amine, O6-Methylguanine, O-(6)-Methylguanine, 1H-Purin-2-amine, 6-methoxy-, Purine, 2-amino-6-methoxy-, 6-Methoxy-1H-purine-2-amine, O(sup 6)-Methylguanine, O(6)-methylguanine, DTXSID9049405, NSC 37364, 9B710FV2AE, NSC-37364, METHYLGUANINE, O(6)-, DTXCID8029365, CHEBI:20689, NELARABINE METABOLITE (METHYLGUANINE), 6-methylguanine, RefChem:855136, Purine, 2-amino-6-methoxy-(8CI), 2-Amino-6-methoxypurine, 6-methoxy-9H-purin-2-amine, O-Methylguanine, 6-O-Methyl-guanine, MFCD00133009, 9H-PURIN-2-AMINE, 6-METHOXY-, METHYLGUANINE, Nelarabine Impurity 1, CHEMBL226395, NSC37364, 6-methoxypurine-2-ylamine, 179U60; 6-methoxyguanine; Nelarabine related, 6-METHOXY-1H-PURIN-2-AMINE, UNII-9B710FV2AE, 6GO, starbld0004267, O6-MeG, 6-Methoxy-2-aminopurine, NCIMech_000186, 6-O-Methylguanine, 97%, MLS001074870, SCHEMBL231097, 6-Methoxy-3H-purin-2-amine, BDBM5470, orb2939794, SCHEMBL1025894, SCHEMBL1336757, SCHEMBL7453052, SCHEMBL29903462, SCHEMBL29968306, 6-Methoxy-7H-purin-2-amine #, O6-Substituted Guanine Deriv. 1, HMS2231D13, HMS3370E06, Tox21_202966, BBL101282, CCG-35441, SBB052058, STL555078, 2-AMINO-6-METHOXY-9H-PURINE, AKOS005257755, AKOS015914255, CS-W014307, EBC-606139, FA08200, HY-W013591, MB00722, NCGC00247006-01, NCGC00260512-01, NCI60_003482, SMR000568400, SY036172, TS-00127, CAS-20535-83-5, DB-045270, A1151, NS00026677, ST50298900, 6-O-Methylguanine (2-Amino-6-Methoxypurine), W13855, F065033, Q4641549, BRD-K99514692-001-06-7, Z1255486891, 6-O-Methylguanine (2-Amino-6-Methoxypurine), Pharmaceutical Secondary Standard; Certified Reference Material
Theoretical properties:
molecular_formula: C6H7N5O
molecular_weight: 165.15 g/mol
exact_mass: 165.06505986 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 1
heavy_atom_count: 12
topological_polar_surface_area: 89.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
solubility: >24.8 [ug/mL] (The mean of the results at pH 7.4)
Descriptions:
pubchem: 6-O-methylguanine 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.
chebi: 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 <em>N</em>-nitroso compounds and sometimes due to methylation by other compounds such as endogenous <em>S</em>-adenosylmethionine, it base-pairs to thymine rather than cytidine, causing a G:C to A:T transition in DNA.
chembl: METHYLGUANINE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 6-O-Methylguanine is a derivative of the nucleobase guanine in which a methyl group is attached to the oxygen atom. It base-pairs to thymine rather than cytosine, causing a G:C to A:T transition in DNA.