chempirical

5-Methylcytosine hydrochloride

C5H8ClN3OCAS 58366-64-6161.59 g/mol

Open in Covalent MOL file
NOHNHHNHCl
Phenol

Properties

Molecular formula
C5H8ClN3O
Molar mass
161.59 g/mol
Exact mass
161.0356 Da
Melting point
299–301 °C
logP
0.33Crippen estimate
Polar surface area
72.8 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
0

Identifiers

CAS number
58366-64-6
SMILES
Cc1cnc(O)[nH]c1=N.Cl
InChIKey
ANWMULVRPAUPJT-UHFFFAOYSA-N
InChI
InChI=1S/C5H7N3O.ClH/c1-3-2-7-5(9)8-4(3)6;/h2H,1H3,(H3,6,7,8,9);1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • 2(1H)-Pyrimidinone, 6-amino-5-methyl-, hydrochloride (1:1)
  • 2(1H)-Pyrimidinone, 4-amino-5-methyl-, monohydrochloride
  • Cytosine, 5-methyl-, hydrochloride

Work with 5-Methylcytosine hydrochloride

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-Methylcytosine554-01-889 % similar 6-Amino-5-iodo-2(1H)-pyrimidinone1122-44-758 % similar 5-Bromocytosine2240-25-755 % similar Flucytosine2022-85-753 % similar 1,3-Dihydro-4-methyl-2H-imidazol-2-one1192-34-347 % similar Toxopyrimidine73-67-641 % similar 4-Amino-2-methyl-5-pyrimidinemethanamine95-02-338 % similar 6-Amino-1,3,5-triazin-2(1H)-one931-86-237 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook