1.0 2010-04-08 22:10:07 UTC 2019-11-26 03:06:35 UTC FDB012328 2,4-Diamino-5,6-dihydroxypyrimidine 2,4-diamino-5,6-dihydroxypyrimidine is a member of the class of compounds known as hydroxypyrimidines. Hydroxypyrimidines are organic compounds containing a hydroxyl group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. 2,4-diamino-5,6-dihydroxypyrimidine can be found in broad bean, which makes 2,4-diamino-5,6-dihydroxypyrimidine a potential biomarker for the consumption of this food product. 2,6-Diamino-5-hydroxy-4(1H)-pyrimidinone, 9CI Divicine C8H12N8O4 284.2321 284.098150912 2,6-diamino-5-hydroxy-1,4-dihydropyrimidin-4-one; diaminopyrimidine-4,5-diol 2,6-diamino-5-hydroxy-1H-pyrimidin-4-one; divicine 60337-65-7 NC1=NC(=O)C(O)=C(N)N1.NC1=NC(O)=C(O)C(N)=N1 InChI=1S/2C4H6N4O2/c2*5-2-1(9)3(10)8-4(6)7-2/h2*9H,(H5,5,6,7,8,10) IYLIKMWNAWRQPO-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxypyrimidines. These are organic compounds containing a hydroxyl group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. Hydroxypyrimidines Organic compounds Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Aminopyrimidines and derivatives Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Hydropyrimidines Organic oxides Organooxygen compounds Organopnictogen compounds Primary amines Pyrimidones Vinylogous amides Amine Aminopyrimidine Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Hydropyrimidine Hydroxypyrimidine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary amine Pyrimidone Vinylogous amide melting_point Mp 300° dec. logp -0.35 ChemAxon pka_strongest_acidic 8.42 ChemAxon pka_strongest_basic 3.52 ChemAxon iupac 2,6-diamino-5-hydroxy-1,4-dihydropyrimidin-4-one; diaminopyrimidine-4,5-diol ChemAxon average_mass 284.2321 ChemAxon mono_mass 284.098150912 ChemAxon smiles NC1=NC(=O)C(O)=C(N)N1.NC1=NC(O)=C(O)C(N)=N1 ChemAxon formula C8H12N8O4 ChemAxon inchi InChI=1S/2C4H6N4O2/c2*5-2-1(9)3(10)8-4(6)7-2/h2*9H,(H5,5,6,7,8,10) ChemAxon inchikey IYLIKMWNAWRQPO-UHFFFAOYSA-N ChemAxon polar_surface_area 118.28 ChemAxon refractivity 36.66 ChemAxon polarizability 12.35 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 101973 Specdb::MsMs 101974 Specdb::MsMs 101975 Specdb::MsMs 167682 Specdb::MsMs 167683 Specdb::MsMs 167684 Broad bean Type 1 specific Vicia faba 3906