1.0 2010-04-08 22:06:45 UTC 2025-11-18 22:59:33 UTC FDB005597 Lumazine Lumazine, also known as pteridine-2,4-dione or 2,4(3h,8h)-pteridinedione, belongs to pteridines and derivatives class of compounds. Those are polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine. Lumazine is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Lumazine can be found in soy bean, which makes lumazine a potential biomarker for the consumption of this food product. 1H,3H-pteridine-2,4-dione 2, 4(3H,8H)-Pteridinedione 2,4-Dihydroxypteridine 2,4-Pteridinediol 2,4(1H,3H)-Pteridinedione 2,4(3H,8H)-Pteridinedione Lumazin Lumazine (van) Lumazine (VAN) (8CI) LUZ pteridine-2,4-diol Pteridine-2,4-diol monohydrate Pteridine-2,4-dione Pteridinedione, 2,4(1h,3h)- C6H4N4O2 164.1216 164.033425392 2,3,4,8-tetrahydropteridine-2,4-dione 2,4(3H,8H)-pteridinedione 487-21-8 O=C1NC(=O)C2=NC=CNC2=N1 InChI=1S/C6H4N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2H,(H2,8,9,10,11,12) UYEUUXMDVNYCAM-UHFFFAOYSA-N belongs to the class of organic compounds known as pteridines and derivatives. These are polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine. Pteridines and derivatives Organic compounds Organoheterocyclic compounds Pteridines and derivatives Aromatic heteropolycyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Lactams Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Pyrazines Pyrimidones Ureas Vinylogous amides Aromatic heteropolycyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pteridine Pyrazine Pyrimidine Pyrimidone Urea Vinylogous amide 2,4-dihydroxypteridine logp -1.54 ALOGPS logs -1.65 ALOGPS solubility 3.66e+00 g/l ALOGPS melting_point 348.5 oC logp -0.83 ChemAxon pka_strongest_acidic 6.96 ChemAxon pka_strongest_basic -1 ChemAxon iupac 2,3,4,8-tetrahydropteridine-2,4-dione ChemAxon average_mass 164.1216 ChemAxon mono_mass 164.033425392 ChemAxon smiles O=C1NC(=O)C2=NC=CNC2=N1 ChemAxon formula C6H4N4O2 ChemAxon inchi InChI=1S/C6H4N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2H,(H2,8,9,10,11,12) ChemAxon inchikey UYEUUXMDVNYCAM-UHFFFAOYSA-N ChemAxon polar_surface_area 82.92 ChemAxon refractivity 37.89 ChemAxon polarizability 13.82 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 109473 Specdb::CMs 122262 Specdb::MsMs 61659 Specdb::MsMs 61660 Specdb::MsMs 61661 Specdb::MsMs 118233 Specdb::MsMs 118234 Specdb::MsMs 118235 Specdb::MsMs 2236523 Specdb::MsMs 2236875 Specdb::MsMs 2238656 Specdb::MsMs 2238903 Specdb::MsMs 2241056 Specdb::MsMs 2242688 Specdb::MsMs 2243134 Specdb::MsMs 3442633 Specdb::MsMs 3442634 Specdb::MsMs 3442635 Specdb::MsMs 3442636 Specdb::MsMs 3442637 Specdb::MsMs 3442638 Specdb::NmrOneD 232198 Specdb::NmrOneD 232199 Specdb::NmrOneD 232200 Specdb::NmrOneD 232201 Specdb::NmrOneD 232202 Specdb::NmrOneD 232203 Specdb::NmrOneD 232204 Specdb::NmrOneD 232205 Specdb::NmrOneD 232206 Specdb::NmrOneD 232207 Specdb::NmrOneD 232208 Specdb::NmrOneD 232209 Specdb::NmrOneD 232210 Specdb::NmrOneD 232211 Specdb::NmrOneD 232212 Specdb::NmrOneD 232213 Specdb::NmrOneD 232214 Specdb::NmrOneD 232215 Specdb::NmrOneD 232216 Specdb::NmrOneD 232217 16489 Soy bean Type 1 specific Glycine max 3847