1.0 2020-03-10 17:01:46 UTC 2020-04-22 18:56:16 UTC BMDB0096135 BMDB96135 8-Oxoguanine 2-Amino-1H-purine-6,8-dione 8-Oxyguanine C5H3N5O2 165.1096 165.028674365 6-hydroxy-2-imino-8,9-dihydro-2H-purin-8-one 8-oxoguanine 82014-86-6 OC1=NC(=N)N=C2NC(=O)N=C12 InChI=1S/C5H3N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H3,6,8,9,10,11,12) UBKVUFQGVWHZIR-UHFFFAOYSA-N belongs to the class of organic compounds known as purinones. These are purines in which the purine moiety bears a C=O group. 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 Purinones Azacyclic compounds Carbonyl compounds Carboxamidines Carboximidamides Hydrocarbon derivatives Hydropyrimidines Imidazolines Imines Organic carbonic acids and derivatives Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds 2,5-dihydropyrimidine 3-imidazoline Aliphatic heteropolycyclic compound Amidine Azacycle Carbonic acid derivative Carbonyl group Carboximidamide Carboxylic acid amidine Hydrocarbon derivative Hydropyrimidine Imine Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Purinone Aliphatic heteropolycyclic compounds 2-aminopurines oxopurine logp -0.98 ALOGPS logs -2.61 ALOGPS logp -0.61 ChemAxon pka_strongest_acidic 2.76 ChemAxon pka_strongest_basic -0.95 ChemAxon iupac 6-hydroxy-2-imino-8,9-dihydro-2H-purin-8-one ChemAxon average_mass 165.1096 ChemAxon mono_mass 165.028674365 ChemAxon smiles OC1=NC(=N)N=C2NC(=O)N=C12 ChemAxon formula C5H3N5O2 ChemAxon inchi InChI=1S/C5H3N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H3,6,8,9,10,11,12) ChemAxon inchikey UBKVUFQGVWHZIR-UHFFFAOYSA-N ChemAxon polar_surface_area 110.26 ChemAxon refractivity 47.02 ChemAxon polarizability 13.51 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 6 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::CMs 16297 Specdb::CMs 47575 Specdb::CMs 137576 Specdb::CMs 145310 Specdb::MsMs 302101 Specdb::MsMs 302102 Specdb::MsMs 302103 Specdb::MsMs 344740 Specdb::MsMs 344741 Specdb::MsMs 344742 Specdb::MsMs 2413465 Specdb::MsMs 2413466 Specdb::MsMs 2413467 Specdb::MsMs 2552189 Specdb::MsMs 2552190 Specdb::MsMs 2552191 Specdb::MsIr 9405 Specdb::MsIr 9406 Specdb::MsIr 9407 106574 FDB111670 C20155 44605 119315 OXG 8-Oxoguanine