1.0 2020-04-20 17:25:44 UTC 2025-11-19 03:11:17 UTC FDB112171 6,8-Dihydroxypurine C5H4N4O2 152.1109 152.033425392 6,7,8,9-tetrahydro-3H-purine-6,8-dione 7,9-dihydro-3H-purine-6,8-dione O=C1NC2=C(N1)C(=O)N=CN2 InChI=1S/C5H4N4O2/c10-4-2-3(6-1-7-4)9-5(11)8-2/h1H,(H3,6,7,8,9,10,11) BYUOBSUZYQAFJM-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. Hypoxanthines Organic compounds Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Aromatic heteropolycyclic compounds 6-oxopurines Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Imidazoles Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Pyrimidones Ureas Vinylogous amides 6-oxopurine 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 Urea Vinylogous amide logp -1.02 ALOGPS logs -1.94 ALOGPS solubility 1.75e+00 g/l ALOGPS logp -1.6 ChemAxon pka_strongest_acidic 7.63 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac 6,7,8,9-tetrahydro-3H-purine-6,8-dione ChemAxon average_mass 152.1109 ChemAxon mono_mass 152.033425392 ChemAxon smiles O=C1NC2=C(N1)C(=O)N=CN2 ChemAxon formula C5H4N4O2 ChemAxon inchi InChI=1S/C5H4N4O2/c10-4-2-3(6-1-7-4)9-5(11)8-2/h1H,(H3,6,7,8,9,10,11) ChemAxon inchikey BYUOBSUZYQAFJM-UHFFFAOYSA-N ChemAxon polar_surface_area 82.59 ChemAxon refractivity 44.32 ChemAxon polarizability 12.68 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 1116 Specdb::MsIr 1117 Specdb::MsIr 1118 Specdb::CMs 19011 Specdb::CMs 135713 Specdb::CMs 143447 Specdb::NmrOneD 8842 Specdb::NmrOneD 8843 Specdb::NmrOneD 8844 Specdb::NmrOneD 8845 Specdb::NmrOneD 8846 Specdb::NmrOneD 8847 Specdb::NmrOneD 8848 Specdb::NmrOneD 8849 Specdb::NmrOneD 8850 Specdb::NmrOneD 8851 Specdb::NmrOneD 8852 Specdb::NmrOneD 8853 Specdb::NmrOneD 8854 Specdb::NmrOneD 8855 Specdb::NmrOneD 8856 Specdb::NmrOneD 8857 Specdb::NmrOneD 8858 Specdb::NmrOneD 8859 Specdb::NmrOneD 8860 Specdb::NmrOneD 8861 Specdb::MsMs 10001 Specdb::MsMs 10002 Specdb::MsMs 10003 Specdb::MsMs 16673 Specdb::MsMs 16674 Specdb::MsMs 16675 Specdb::MsMs 2715736 Specdb::MsMs 2715737 Specdb::MsMs 2715738 Specdb::MsMs 2966706 Specdb::MsMs 2966707 Specdb::MsMs 2966708 HMDB0001182 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823