1.0 2011-09-21 01:37:45 UTC 2015-07-21 06:59:22 UTC FDB028312 3-Methylcytosine 3-methylcytosine is cytotoxic and mutagenic methylated base in DNA which can be generated by endogenous and environmental alkylation agents. The toxic lesions 3-methylcytosine is corrected by oxidative DNA demethylation catalyzed by DNA dioxygenases. These enzymes release the methyl moiety as formaldehyde, directly reversing the base damage. (PMID: 17112791) [HMDB] 3-methyl-(7CI,8CI)-Cytosine, 3-Methylcytosine 6-amino-1-methyl-2(1H)-Pyrimidinone N3-Methylcytosine C5H7N3O 125.1286 125.058911861 6-amino-1-methyl-1,2-dihydropyrimidin-2-one 6-amino-1-methylpyrimidin-2-one 4776-08-3 CN1C(N)=CC=NC1=O InChI=1S/C5H7N3O/c1-8-4(6)2-3-7-5(8)9/h2-3H,6H2,1H3 KOLPWZCZXAMXKS-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. Pyrimidones Organic compounds Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Aromatic heteromonocyclic compounds Aminopyrimidines and derivatives Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Hydropyrimidines Organic oxides Organooxygen compounds Organopnictogen compounds Primary amines Amine Aminopyrimidine Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Hydropyrimidine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary amine Pyrimidone aminopyrimidine pyrimidone Solid logp -0.77 ALOGPS logs -0.69 ALOGPS solubility 2.55e+01 g/l ALOGPS logp -0.92 ChemAxon pka_strongest_basic 3.75 ChemAxon iupac 6-amino-1-methyl-1,2-dihydropyrimidin-2-one ChemAxon average_mass 125.1286 ChemAxon mono_mass 125.058911861 ChemAxon smiles CN1C(N)=CC=NC1=O ChemAxon formula C5H7N3O ChemAxon inchi InChI=1S/C5H7N3O/c1-8-4(6)2-3-7-5(8)9/h2-3H,6H2,1H3 ChemAxon inchikey KOLPWZCZXAMXKS-UHFFFAOYSA-N ChemAxon polar_surface_area 58.69 ChemAxon refractivity 42.91 ChemAxon polarizability 11.83 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 2522 Specdb::MsIr 2523 Specdb::MsIr 2524 Specdb::CMs 19566 Specdb::CMs 173834 Specdb::MsMs 309532 Specdb::MsMs 309533 Specdb::MsMs 309534 Specdb::MsMs 354001 Specdb::MsMs 354002 Specdb::MsMs 354003 Specdb::MsMs 2734619 Specdb::MsMs 2734620 Specdb::MsMs 2734621 Specdb::MsMs 2973855 Specdb::MsMs 2973856 Specdb::MsMs 2973857 Specdb::NmrOneD 93372 Specdb::NmrOneD 93373 Specdb::NmrOneD 93374 Specdb::NmrOneD 93375 Specdb::NmrOneD 93376 Specdb::NmrOneD 93377 Specdb::NmrOneD 93378 Specdb::NmrOneD 93379 Specdb::NmrOneD 93380 Specdb::NmrOneD 93381 Specdb::NmrOneD 93382 Specdb::NmrOneD 93383 Specdb::NmrOneD 93384 Specdb::NmrOneD 93385 Specdb::NmrOneD 93386 Specdb::NmrOneD 93387 Specdb::NmrOneD 93388 Specdb::NmrOneD 93389 Specdb::NmrOneD 93390 Specdb::NmrOneD 93391 HMDB11601 #<Reference:0x000055ce32cd0090> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823