chempirical

5-Methylcytidine

C10H15N3O5CAS 2140-61-6257.25 g/mol

Open in Covalent MOL file
NOOHOHHOOHNHN
AlcoholEtherPhenol

Properties

Molecular formula
C10H15N3O5
Molar mass
257.25 g/mol
Exact mass
257.1012 Da
Melting point
213 °C (decomposes)
logP
-2.01Crippen estimate
Polar surface area
131.8 Ų
H-bond donors / acceptors
5 / 7
Rotatable bonds
2
Stereocentres
R, R, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
2140-61-6
SMILES
Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(O)nc1=N
InChIKey
ZAYHVCMSTBRABG-JXOAFFINSA-N
InChI
InChI=1S/C10H15N3O5/c1-4-2-13(10(17)12-8(4)11)9-7(16)6(15)5(3-14)18-9/h2,5-7,9,14-16H,3H2,1H3,(H2,11,12,17)/t5-,6-,7-,9-/m1/s1

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Names and synonyms

3 names
  • Cytidine, 5-methyl-
  • NSC 363933
  • 3: PN: US20060035254 PAGE: 63 claimed sequence

Work with 5-Methylcytidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Fluorocytidine2341-22-272 % similar 5-Methyl-2'-deoxycytidine838-07-364 % similar Azacytidine320-67-261 % similar Cmc.hci51391-96-961 % similar Cytarabine147-94-460 % similar Cytidine65-46-360 % similar 5-Methyluridine1463-10-159 % similar 1-Beta-D-Arabinofuranosyl-5-methyl-2,4(1H,3H)-pyrimidinedione605-23-259 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N(4)-Methylcytidine10578-79-7 3'-O-Methylcytidine20594-00-7 2'-C-Methylcytidine20724-73-6 2′-O-Methylcytidine2140-72-9 Benserazide322-35-0

Elsewhere

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