1.0 2016-09-30 23:19:54 UTC 2020-04-22 15:16:45 UTC BMDB0006040 BMDB06040 N2-Methylguanine 1,7-Dihydro-2-(methylamino)-6H-purin-6-one 2-Methylamino-6-oxopurine 2-Methylguanine N-Methyl-guanine 1, 7-dihydro-2-(methylamino)-6H-Purin-6-one 2-(methylamino)-9H-Purin-6-ol 2-methylamino-1,9-dihydro-Purin-6-one 2-monomethylamino-6-Hydroxypurine 6-Hydroxy-2-methylamino-purine 6-Hydroxy-2-methylaminopurine 7-Methylguanine N7-Me-g 7-Methylguanine, 14C-labeled N(2)-Methylguanine N7-Methylguanine N2-Methylguanine C6H7N5O 165.1527 165.065059871 2-(methylamino)-6,7-dihydro-3H-purin-6-one 2-(methylamino)-3,7-dihydropurin-6-one 10030-78-1 CNC1=NC(=O)C2=C(N1)N=CN2 InChI=1S/C6H7N5O/c1-7-6-10-4-3(5(12)11-6)8-2-9-4/h2H,1H3,(H3,7,8,9,10,11,12) SGSSKEDGVONRGC-UHFFFAOYSA-N belongs to the class of organic compounds known as hypoxanthines. Hypoxanthines are compounds containing the purine derivative 1H-purin-6(9H)-one. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. Organic compounds Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Hypoxanthines 6-oxopurines Aminopyrimidines and derivatives Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Imidazoles Organic oxides Organooxygen compounds Organopnictogen compounds Pyrimidones Secondary alkylarylamines Vinylogous amides 6-oxopurine Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Heteroaromatic compound Hydrocarbon derivative Hypoxanthine Imidazole Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrimidine Pyrimidone Secondary aliphatic/aromatic amine Secondary amine Vinylogous amide Aromatic heteropolycyclic compounds Solid logp -0.71 ALOGPS logs -2.31 ALOGPS logp -0.31 ChemAxon pka_strongest_acidic 8.92 ChemAxon pka_strongest_basic 2.22 ChemAxon iupac 2-(methylamino)-6,7-dihydro-3H-purin-6-one ChemAxon average_mass 165.1527 ChemAxon mono_mass 165.065059871 ChemAxon smiles CNC1=NC(=O)C2=C(N1)N=CN2 ChemAxon formula C6H7N5O ChemAxon inchi InChI=1S/C6H7N5O/c1-7-6-10-4-3(5(12)11-6)8-2-9-4/h2H,1H3,(H3,7,8,9,10,11,12) ChemAxon inchikey SGSSKEDGVONRGC-UHFFFAOYSA-N ChemAxon polar_surface_area 82.17 ChemAxon refractivity 43.68 ChemAxon polarizability 15.5 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 2353 Specdb::MsIr 2354 Specdb::MsIr 2355 Specdb::MsMs 89301 Specdb::MsMs 89302 Specdb::MsMs 89303 Specdb::MsMs 152202 Specdb::MsMs 152203 Specdb::MsMs 152204 Specdb::MsMs 2728819 Specdb::MsMs 2728820 Specdb::MsMs 2728821 Specdb::MsMs 2979608 Specdb::MsMs 2979609 Specdb::MsMs 2979610 Specdb::CMs 18532 Specdb::CMs 169410 Specdb::NmrOneD 61572 Specdb::NmrOneD 61573 Specdb::NmrOneD 61574 Specdb::NmrOneD 61575 Specdb::NmrOneD 61576 Specdb::NmrOneD 61577 Specdb::NmrOneD 61578 Specdb::NmrOneD 61579 Specdb::NmrOneD 61580 Specdb::NmrOneD 61581 Specdb::NmrOneD 61582 Specdb::NmrOneD 61583 Specdb::NmrOneD 61584 Specdb::NmrOneD 61585 Specdb::NmrOneD 61586 Specdb::NmrOneD 61587 Specdb::NmrOneD 61588 Specdb::NmrOneD 61589 Specdb::NmrOneD 61590 Specdb::NmrOneD 61591 FDB023816 23213 24828 21818 C04153