1.0 2016-09-30 23:19:51 UTC 2020-04-22 15:16:44 UTC BMDB0006037 BMDB06037 8-Hydroxy-7-methylguanine C6H7N5O2 181.1521 181.059974493 2-amino-7-methyl-6,7,8,9-tetrahydro-3H-purine-6,8-dione 2-amino-7-methyl-3,9-dihydropurine-6,8-dione 1688-85-3 CN1C(=O)NC2=C1C(=O)N=C(N)N2 InChI=1S/C6H7N5O2/c1-11-2-3(9-6(11)13)8-5(7)10-4(2)12/h1H3,(H4,7,8,9,10,12,13) VHPXSVXJBWZORQ-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 Ureas 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 Urea Vinylogous amide Aromatic heteropolycyclic compounds 2-aminopurines oxopurine Solid logp -1.15 ALOGPS logs -1.78 ALOGPS logp -1.6 ChemAxon pka_strongest_acidic 8.17 ChemAxon pka_strongest_basic 0.51 ChemAxon iupac 2-amino-7-methyl-6,7,8,9-tetrahydro-3H-purine-6,8-dione ChemAxon average_mass 181.1521 ChemAxon mono_mass 181.059974493 ChemAxon smiles CN1C(=O)NC2=C1C(=O)N=C(N)N2 ChemAxon formula C6H7N5O2 ChemAxon inchi InChI=1S/C6H7N5O2/c1-11-2-3(9-6(11)13)8-5(7)10-4(2)12/h1H3,(H4,7,8,9,10,12,13) ChemAxon inchikey VHPXSVXJBWZORQ-UHFFFAOYSA-N ChemAxon polar_surface_area 99.82 ChemAxon refractivity 52.5 ChemAxon polarizability 16.29 ChemAxon rotatable_bond_count 0 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 2347 Specdb::MsIr 2348 Specdb::MsIr 2349 Specdb::MsMs 107649 Specdb::MsMs 107650 Specdb::MsMs 107651 Specdb::MsMs 174669 Specdb::MsMs 174670 Specdb::MsMs 174671 Specdb::MsMs 2316647 Specdb::MsMs 2316648 Specdb::MsMs 2316649 Specdb::MsMs 2621888 Specdb::MsMs 2621889 Specdb::MsMs 2621890 Specdb::CMs 11431 Specdb::CMs 158548 Specdb::NmrOneD 61532 Specdb::NmrOneD 61533 Specdb::NmrOneD 61534 Specdb::NmrOneD 61535 Specdb::NmrOneD 61536 Specdb::NmrOneD 61537 Specdb::NmrOneD 61538 Specdb::NmrOneD 61539 Specdb::NmrOneD 61540 Specdb::NmrOneD 61541 Specdb::NmrOneD 61542 Specdb::NmrOneD 61543 Specdb::NmrOneD 61544 Specdb::NmrOneD 61545 Specdb::NmrOneD 61546 Specdb::NmrOneD 61547 Specdb::NmrOneD 61548 Specdb::NmrOneD 61549 Specdb::NmrOneD 61550 Specdb::NmrOneD 61551 FDB023813 272336 308075 74064