1.0 2011-09-21 01:53:47 UTC 2015-07-21 06:59:41 UTC FDB029310 1-Methylhypoxanthine 1-Methylhypoxanthine is a methylated hypoxanthine. Hypoxanthine is a naturally occurring purine derivative and a reaction intermediate in the metabolism of adenosine and in the formation of nucleic acids by the salvage pathway. [HMDB] 1-methyl-1,9-dihydro-6H-purin-6-one 1-methyl-1,9-dihydro-6H-purin-6-one (ACD/Name 4.0) 1-Methyl-1,9-dihydro-purin-6-one 1-Methyl-hypoxanthine 1,7-dihydro-1-Methyl-6H-purin-6-one 2-(methylthio)-4(3H)-Quinazolinone 2-(methylthio)quinazolin-4(3H)-one 4(3H)-quinazolinone, 2-(methylthio)- 6H-Purin-6-one, 1,7-dihydro-1-methyl- 6H-Purin-6-one, 1,7-dihydro-1-methyl- (9CI) Hypoxanthine, 1-methyl- Hypoxanthine, 1-methyl- (8CI) C6H6N4O 150.138 150.054160834 1-methyl-6,7-dihydro-1H-purin-6-one 1-methyl-7H-purin-6-one 1125-39-9 CN1C=NC2=C(NC=N2)C1=O InChI=1S/C6H6N4O/c1-10-3-9-5-4(6(10)11)7-2-8-5/h2-3H,1H3,(H,7,8) KIQMCGMHGVXDFW-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 Lactams Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Pyrimidones Vinylogous amides 6-oxopurine Aromatic heteropolycyclic compound Azacycle Azole Heteroaromatic compound Hydrocarbon derivative Hypoxanthine Imidazole Lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrimidine Pyrimidone Vinylogous amide methylhypoxanthine Solid logp -0.69 ALOGPS logs -1.45 ALOGPS solubility 5.27e+00 g/l ALOGPS logp -0.66 ChemAxon pka_strongest_acidic 8.52 ChemAxon pka_strongest_basic -0.24 ChemAxon iupac 1-methyl-6,7-dihydro-1H-purin-6-one ChemAxon average_mass 150.138 ChemAxon mono_mass 150.054160834 ChemAxon smiles CN1C=NC2=C(NC=N2)C1=O ChemAxon formula C6H6N4O ChemAxon inchi InChI=1S/C6H6N4O/c1-10-3-9-5-4(6(10)11)7-2-8-5/h2-3H,1H3,(H,7,8) ChemAxon inchikey KIQMCGMHGVXDFW-UHFFFAOYSA-N ChemAxon polar_surface_area 61.35 ChemAxon refractivity 40.94 ChemAxon polarizability 13.9 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21365 Specdb::CMs 130346 Specdb::CMs 138080 Specdb::MsIr 2854 Specdb::MsIr 2855 Specdb::MsIr 2856 Specdb::MsMs 313516 Specdb::MsMs 313517 Specdb::MsMs 313518 Specdb::MsMs 359026 Specdb::MsMs 359027 Specdb::MsMs 359028 Specdb::MsMs 2814020 Specdb::MsMs 2814021 Specdb::MsMs 2814022 Specdb::MsMs 2892141 Specdb::MsMs 2892142 Specdb::MsMs 2892143 Specdb::NmrOneD 98958 Specdb::NmrOneD 98959 Specdb::NmrOneD 98960 Specdb::NmrOneD 98961 Specdb::NmrOneD 98962 Specdb::NmrOneD 98963 Specdb::NmrOneD 98964 Specdb::NmrOneD 98965 Specdb::NmrOneD 98966 Specdb::NmrOneD 98967 Specdb::NmrOneD 98968 Specdb::NmrOneD 98969 Specdb::NmrOneD 98970 Specdb::NmrOneD 98971 Specdb::NmrOneD 98972 Specdb::NmrOneD 98973 Specdb::NmrOneD 98974 Specdb::NmrOneD 98975 Specdb::NmrOneD 98976 Specdb::NmrOneD 98977 HMDB13141