1.0 2016-09-30 22:32:30 UTC 2020-04-22 15:04:05 UTC BMDB0000544 BMDB00544 5-Hydroxymethyl-4-methyluracil Pentoxyl 4-Methyl-5-hydroxymethyluracil 5-Hydroxymethyl-6-methyluracil Pentoxil C6H8N2O3 156.1393 156.053492132 5-(hydroxymethyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione 5-hydroxymethyl-6-methyluracil 147-61-5 CC1=C(CO)C(=O)NC(=O)N1 InChI=1S/C6H8N2O3/c1-3-4(2-9)5(10)8-6(11)7-3/h9H,2H2,1H3,(H2,7,8,10,11) XBAVGYMDOXCWQU-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrimidones. Pyrimidones are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. Organic compounds Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Pyrimidones Aromatic alcohols Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Hydropyrimidines Lactams Organic oxides Organonitrogen compounds Organopnictogen compounds Primary alcohols Ureas Vinylogous amides Alcohol Aromatic alcohol Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Hydropyrimidine Lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Pyrimidone Urea Vinylogous amide Aromatic heteromonocyclic compounds Solid logp -0.95 ALOGPS logs -1.22 ALOGPS logp -1.5 ChemAxon pka_strongest_acidic 8.97 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 5-(hydroxymethyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione ChemAxon average_mass 156.1393 ChemAxon mono_mass 156.053492132 ChemAxon smiles CC1=C(CO)C(=O)NC(=O)N1 ChemAxon formula C6H8N2O3 ChemAxon inchi InChI=1S/C6H8N2O3/c1-3-4(2-9)5(10)8-6(11)7-3/h9H,2H2,1H3,(H2,7,8,10,11) ChemAxon inchikey XBAVGYMDOXCWQU-UHFFFAOYSA-N ChemAxon polar_surface_area 78.43 ChemAxon refractivity 37.92 ChemAxon polarizability 14.31 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrTwoD 1357 Specdb::CMs 15759 Specdb::CMs 37611 Specdb::CMs 171283 Specdb::CMs 1065600 Specdb::CMs 1065602 Specdb::CMs 1065604 Specdb::CMs 1065606 Specdb::CMs 1065608 Specdb::MsIr 623 Specdb::MsIr 624 Specdb::MsIr 625 Specdb::NmrOneD 1413 Specdb::NmrOneD 7062 Specdb::NmrOneD 7063 Specdb::NmrOneD 7064 Specdb::NmrOneD 7065 Specdb::NmrOneD 7066 Specdb::NmrOneD 7067 Specdb::NmrOneD 7068 Specdb::NmrOneD 7069 Specdb::NmrOneD 7070 Specdb::NmrOneD 7071 Specdb::NmrOneD 7072 Specdb::NmrOneD 7073 Specdb::NmrOneD 7074 Specdb::NmrOneD 7075 Specdb::NmrOneD 7076 Specdb::NmrOneD 7077 Specdb::NmrOneD 7078 Specdb::NmrOneD 7079 Specdb::NmrOneD 7080 Specdb::NmrOneD 7081 Specdb::MsMs 764 Specdb::MsMs 765 Specdb::MsMs 766 Specdb::MsMs 300940 Specdb::MsMs 300941 Specdb::MsMs 300942 Specdb::MsMs 343330 Specdb::MsMs 343331 Specdb::MsMs 343332 Specdb::MsMs 2471064 Specdb::MsMs 2471065 Specdb::MsMs 2471066 Specdb::MsMs 2495396 Specdb::MsMs 2495397 Specdb::MsMs 2495398 FDB022107 8635 8983 5529 Cannon-Carlson S V; Gokhale H; Teebor G W Purification and characterization of 5-hydroxymethyluracil-DNA glycosylase from calf thymus. Its possible role in the maintenance of methylated cytosine residues. The Journal of biological chemistry (1989), 264(22), 13306-12.