1.0 2026-09-23 11:29:46 UTC 2026-09-23 11:29:46 UTC FDB120333 Xanthopterin 2-amino-3,5-dihydropteridine-4,6-dione C6H5N5O2 179.1362 179.044324429 4-hydroxy-2-imino-1,2,5,6-tetrahydropteridin-6-one xanthopterin OC1=NC(=N)NC2=C1NC(=O)C=N2 InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1H,(H,9,12)(H3,7,8,10,11,13) VURKRJGMSKJIQX-UHFFFAOYSA-N belongs to the class of organic compounds known as pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moiety, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one. Pterins and derivatives Organic compounds Organoheterocyclic compounds Pteridines and derivatives Pterins and derivatives Aromatic heteropolycyclic compounds Aminopyrimidines and derivatives Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Lactams Organic oxides Organooxygen compounds Organopnictogen compounds Primary amines Pyrazines Pyrimidones Vinylogous amides Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary amine Pterin Pyrazine Pyrimidine Pyrimidone Vinylogous amide logp -1.28 ALOGPS logs -2.33 ALOGPS solubility 8.42e-01 g/l ALOGPS logp -1.3 ChemAxon pka_strongest_acidic -0.96 ChemAxon pka_strongest_basic 12.84 ChemAxon iupac 4-hydroxy-2-imino-1,2,5,6-tetrahydropteridin-6-one ChemAxon average_mass 179.1362 ChemAxon mono_mass 179.044324429 ChemAxon smiles OC1=NC(=N)NC2=C1NC(=O)C=N2 ChemAxon formula C6H5N5O2 ChemAxon inchi InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1H,(H,9,12)(H3,7,8,10,11,13) ChemAxon inchikey VURKRJGMSKJIQX-UHFFFAOYSA-N ChemAxon polar_surface_area 109.93 ChemAxon refractivity 62.86 ChemAxon polarizability 15.29 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 244068 Specdb::NmrOneD 244069 Specdb::NmrOneD 244070 Specdb::NmrOneD 244071 Specdb::NmrOneD 244072 Specdb::NmrOneD 244073 Specdb::NmrOneD 244074 Specdb::NmrOneD 244075 Specdb::NmrOneD 244076 Specdb::NmrOneD 244077 Specdb::NmrOneD 244078 Specdb::NmrOneD 244079 Specdb::NmrOneD 244080 Specdb::NmrOneD 244081 Specdb::NmrOneD 244082 Specdb::NmrOneD 244083 Specdb::NmrOneD 244084 Specdb::NmrOneD 244085 Specdb::NmrOneD 244086 Specdb::NmrOneD 244087 Specdb::CMs 114724 Specdb::CMs 128868 Specdb::CMs 999724 Specdb::CMs 999725 Specdb::CMs 999726 Specdb::CMs 999727 Specdb::CMs 999728 Specdb::CMs 999729 Specdb::CMs 999730 Specdb::CMs 999731