1.0 2016-09-30 22:52:54 UTC 2020-04-22 15:10:16 UTC BMDB0002224 BMDB02224 5-Methyldeoxycytidine 2'-Deoxy-5-methylcytidine 5-Methyl-2'-deoxycytidine 5-Methyldeoxycytidine C10H15N3O4 241.2438 241.106255983 4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-2-one 4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one 838-07-3 CC1=CN([C@H]2CC(O)[C@@H](CO)O2)C(=O)N=C1N InChI=1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)11)8-2-6(15)7(4-14)17-8/h3,6-8,14-15H,2,4H2,1H3,(H2,11,12,16)/t6?,7-,8-/m1/s1 LUCHPKXVUGJYGU-SPDVFEMOSA-N belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleosides. Pyrimidine 2'-deoxyribonucleosides are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at position 2. Organic compounds Nucleosides, nucleotides, and analogues Pyrimidine nucleosides Pyrimidine 2'-deoxyribonucleosides Pyrimidine 2'-deoxyribonucleosides Aminopyrimidines and derivatives Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Hydropyrimidines Imidolactams Organic oxides Organopnictogen compounds Oxacyclic compounds Primary alcohols Primary amines Pyrimidones Secondary alcohols Tetrahydrofurans Alcohol Amine Aminopyrimidine Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Hydropyrimidine Imidolactam Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Primary alcohol Primary amine Pyrimidine Pyrimidine 2'-deoxyribonucleoside Pyrimidone Secondary alcohol Tetrahydrofuran Aromatic heteromonocyclic compounds Solid logp -1.71 ALOGPS logs -1.35 ALOGPS logp -1.5 ChemAxon pka_strongest_acidic 13.89 ChemAxon pka_strongest_basic 0.41 ChemAxon iupac 4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-2-one ChemAxon average_mass 241.2438 ChemAxon mono_mass 241.106255983 ChemAxon smiles CC1=CN([C@H]2CC(O)[C@@H](CO)O2)C(=O)N=C1N ChemAxon formula C10H15N3O4 ChemAxon inchi InChI=1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)11)8-2-6(15)7(4-14)17-8/h3,6-8,14-15H,2,4H2,1H3,(H2,11,12,16)/t6?,7-,8-/m1/s1 ChemAxon inchikey LUCHPKXVUGJYGU-SPDVFEMOSA-N ChemAxon polar_surface_area 108.38 ChemAxon refractivity 57.39 ChemAxon polarizability 23.34 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 320095 Specdb::MsMs 320096 Specdb::MsMs 320097 Specdb::MsMs 367408 Specdb::MsMs 367409 Specdb::MsMs 367410 Specdb::MsMs 2777015 Specdb::MsMs 2777016 Specdb::MsMs 2777017 Specdb::MsMs 2902341 Specdb::MsMs 2902342 Specdb::MsMs 2902343 Specdb::CMs 24450 Specdb::CMs 38327 Specdb::CMs 161513 Specdb::NmrOneD 10302 Specdb::NmrOneD 10303 Specdb::NmrOneD 10304 Specdb::NmrOneD 10305 Specdb::NmrOneD 10306 Specdb::NmrOneD 10307 Specdb::NmrOneD 10308 Specdb::NmrOneD 10309 Specdb::NmrOneD 10310 Specdb::NmrOneD 10311 Specdb::NmrOneD 10312 Specdb::NmrOneD 10313 Specdb::NmrOneD 10314 Specdb::NmrOneD 10315 Specdb::NmrOneD 10316 Specdb::NmrOneD 10317 Specdb::NmrOneD 10318 Specdb::NmrOneD 10319 Specdb::NmrOneD 10320 Specdb::NmrOneD 10321 FDB022917 12719 13279 27964 C03592 Vorbrueggen, Helmut; Krolikiewicz, Konrad. 2'-Deoxy-5-methylcytidine: Amination of thymidine. Nucleic Acid Chem. (1978), 1 227-9.