1.0 2016-09-30 22:38:15 UTC 2020-05-11 20:38:13 UTC BMDB0000897 BMDB00897 7-Methylguanine 2-Amino-1,7-dihydro-7-methyl-6H-purin-6-one 2-Amino-7-methylhypoxanthine N(7)-Methylguanine 2-Amino-1,7-dihydroxy-7-methyl-6H-purine-6-one 2-Amino-6-hydroxy-7-methylpurine 7-Methyl-guanine 7-Methyl-guanine (8ci) N-Methylguanine N7-Methylguanine 7-Methylguanine, 14C-labeled N2-Methylguanine N7-Me-g N(2)-Methylguanine 7-Methylguanine C6H7N5O 165.1527 165.065059871 2-amino-7-methyl-6,7-dihydro-3H-purin-6-one 2-amino-7-methylhypoxanthine 578-76-7 CN1C=NC2=C1C(=O)N=C(N)N2 InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12) FZWGECJQACGGTI-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 N-substituted imidazoles Organic oxides Organooxygen compounds Organopnictogen compounds Primary amines Pyrimidones Vinylogous amides 6-oxopurine Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Heteroaromatic compound Hydrocarbon derivative Hypoxanthine Imidazole N-substituted imidazole Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary amine Pyrimidine Pyrimidone Vinylogous amide Aromatic heteropolycyclic compounds 7-methylguanine Solid melting_point 370 °C logp -0.62 ALOGPS logs -1.43 ALOGPS logp -0.37 ChemAxon pka_strongest_acidic 9.35 ChemAxon pka_strongest_basic 2.07 ChemAxon iupac 2-amino-7-methyl-6,7-dihydro-3H-purin-6-one ChemAxon average_mass 165.1527 ChemAxon mono_mass 165.065059871 ChemAxon smiles CN1C=NC2=C1C(=O)N=C(N)N2 ChemAxon formula C6H7N5O ChemAxon inchi InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12) ChemAxon inchikey FZWGECJQACGGTI-UHFFFAOYSA-N ChemAxon polar_surface_area 85.3 ChemAxon refractivity 43.8 ChemAxon polarizability 15.41 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 5 ChemAxon donor_count 2 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 952 Specdb::MsIr 953 Specdb::MsIr 954 Specdb::CMs 2766 Specdb::CMs 132817 Specdb::CMs 140551 Specdb::MsMs 1268 Specdb::MsMs 1269 Specdb::MsMs 1270 Specdb::MsMs 4812 Specdb::MsMs 4813 Specdb::MsMs 4814 Specdb::MsMs 4815 Specdb::MsMs 4816 Specdb::MsMs 4817 Specdb::MsMs 4818 Specdb::MsMs 4819 Specdb::MsMs 4820 Specdb::MsMs 4821 Specdb::MsMs 178815 Specdb::MsMs 178816 Specdb::MsMs 178817 Specdb::MsMs 181137 Specdb::MsMs 181138 Specdb::MsMs 181139 Specdb::MsMs 438119 Specdb::MsMs 438120 Specdb::MsMs 438121 Specdb::MsMs 438122 Specdb::MsMs 438123 Specdb::MsMs 446520 Specdb::NmrOneD 145730 Specdb::NmrOneD 145731 Specdb::NmrOneD 145732 Specdb::NmrOneD 145733 Specdb::NmrOneD 145734 Specdb::NmrOneD 145735 Specdb::NmrOneD 145736 Specdb::NmrOneD 145737 Specdb::NmrOneD 145738 Specdb::NmrOneD 145739 Specdb::NmrOneD 145740 Specdb::NmrOneD 145741 Specdb::NmrOneD 145742 Specdb::NmrOneD 145743 Specdb::NmrOneD 145744 Specdb::NmrOneD 145745 Specdb::NmrOneD 145746 Specdb::NmrOneD 145747 Specdb::NmrOneD 145748 Specdb::NmrOneD 145749 Leukocyte Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Placenta Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 FDB022305 10883 C02242 11361 28664 CPD0-2377 7-Methylguanine Adams, Benjamin L. De-D-ribosylation of 7-alkylpurine D-ribonucleosides by a reduction-displacement procedure. Conversion of 7-methylguanosine into 7-methylguanine. Nucleic Acid Chem. (1978), 2 615-17.