1.0 2016-09-30 23:02:04 UTC 2020-05-11 20:02:50 UTC BMDB0002894 BMDB02894 5-Methylcytosine 5-Methylcytosine 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. 5-Methylcytosine exists as a solid, possibly soluble (in water), and a strong basic compound (based on its pKa) molecule. 5-Methylcytosine exists in all living organisms, ranging from bacteria to humans. 4-Amino-5-methyl-2(1H)-pyrimidinone 4-Amino-5-methyl-2-pyrimidinol 4-Amino-5-methyl-2-(1H)-pyrimidinone 5-Methyl-cytosine 5-Methylcytosine>96 Monohydrochloride, 5-methylcytosine 5 Methylcytosine 5 Methylcytosine monohydrochloride 5-Methylcytosine monohydrochloride C5H7N3O 125.1286 125.058911861 6-amino-5-methyl-1,2-dihydropyrimidin-2-one 5-methylcytosine 554-01-8 CC1=C(N)NC(=O)N=C1 InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9) LRSASMSXMSNRBT-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. Organic compounds Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Hydroxypyrimidines Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Hydropyrimidines Imidolactams Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Hydropyrimidine Hydroxypyrimidine Imidolactam Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Aromatic heteromonocyclic compounds a small molecule pyrimidines Solid melting_point 270 °C water_solubility 34.5 mg/mL logp -0.63 ALOGPS logs -1.15 ALOGPS logp -0.75 ChemAxon pka_strongest_acidic 10.08 ChemAxon pka_strongest_basic 3.75 ChemAxon iupac 6-amino-5-methyl-1,2-dihydropyrimidin-2-one ChemAxon average_mass 125.1286 ChemAxon mono_mass 125.058911861 ChemAxon smiles CC1=C(N)NC(=O)N=C1 ChemAxon formula C5H7N3O ChemAxon inchi InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9) ChemAxon inchikey LRSASMSXMSNRBT-UHFFFAOYSA-N ChemAxon polar_surface_area 67.48 ChemAxon refractivity 42.37 ChemAxon polarizability 11.89 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 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::MsMs 24026 Specdb::MsMs 24027 Specdb::MsMs 24028 Specdb::MsMs 30824 Specdb::MsMs 30825 Specdb::MsMs 30826 Specdb::MsMs 440086 Specdb::MsMs 446475 Specdb::MsMs 446476 Specdb::MsMs 446477 Specdb::MsMs 446478 Specdb::MsMs 446479 Specdb::MsMs 447914 Specdb::MsMs 447915 Specdb::MsMs 451919 Specdb::MsMs 2236071 Specdb::MsMs 2236093 Specdb::MsMs 2237296 Specdb::MsMs 2237308 Specdb::MsMs 2238172 Specdb::MsMs 2239419 Specdb::MsMs 2240285 Specdb::MsMs 2241407 Specdb::MsMs 2242340 Specdb::MsMs 2242402 Specdb::NmrOneD 128998 Specdb::NmrOneD 128999 Specdb::NmrOneD 129000 Specdb::NmrOneD 129001 Specdb::NmrOneD 129002 Specdb::NmrOneD 129003 Specdb::NmrOneD 129004 Specdb::NmrOneD 129005 Specdb::NmrOneD 129006 Specdb::NmrOneD 129007 Specdb::NmrOneD 129008 Specdb::NmrOneD 129009 Specdb::NmrOneD 129010 Specdb::NmrOneD 129011 Specdb::NmrOneD 129012 Specdb::NmrOneD 129013 Specdb::NmrOneD 129014 Specdb::NmrOneD 129015 Specdb::NmrOneD 129016 Specdb::NmrOneD 129017 Specdb::MsIr 1841 Specdb::MsIr 1842 Specdb::MsIr 1843 Specdb::CMs 1240 Specdb::CMs 1242 Specdb::CMs 1350 Specdb::CMs 18516 Specdb::CMs 30171 Specdb::CMs 30262 Specdb::CMs 30465 Specdb::CMs 30750 Specdb::CMs 31429 Specdb::CMs 31430 Specdb::CMs 31431 Specdb::CMs 134997 Specdb::CMs 142731 Fibroblasts Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Milk By UPLC-Q-TOF Pan L, Yu J, Mi Z, Mo L, Jin H, Yao C, Ren D, Menghe B: A Metabolomics Approach Uncovers Differences between Traditional and Commercial Dairy Products in Buryatia (Russian Federation). Molecules. 2018 Mar 22;23(4). pii: molecules23040735. doi: 10.3390/molecules23040735. 29565828 FDB004432 58551 65040 C02376 27551 CPD0-2018 5-Methylcytosine 3247 Umetani, Hideki. Method for preparing 5-methylcytosine. Jpn. Kokai Tokkyo Koho (2006), 8 pp. Pan L, Yu J, Mi Z, Mo L, Jin H, Yao C, Ren D, Menghe B: A Metabolomics Approach Uncovers Differences between Traditional and Commercial Dairy Products in Buryatia (Russian Federation). Molecules. 2018 Mar 22;23(4). pii: molecules23040735. doi: 10.3390/molecules23040735. 29565828 BMDBP00401 tRNA (cytosine-5-)-methyltransferase Q7YS61 TRDMT1 Enzyme BMDBP00407 DNA (cytosine-5)-methyltransferase 1 Q24K09 DNMT1 Enzyme BMDBP00408 DNA methyltransferase b B1P383 Dnmt1 Enzyme