chempirical

2-Pyrimidinone hydrochloride

C4H5ClN2OCAS 38353-09-2132.55 g/mol

Open in Covalent MOL file
HClHONN
Phenol

Properties

Molecular formula
C4H5ClN2O
Molar mass
132.55 g/mol
Exact mass
132.0090 Da
Melting point
203–205 °C
logP
0.60Crippen estimate
Polar surface area
46.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
38353-09-2
SMILES
Cl.Oc1ncccn1
InChIKey
IAJINJSFYTZPEJ-UHFFFAOYSA-N
InChI
InChI=1S/C4H4N2O.ClH/c7-4-5-2-1-3-6-4;/h1-3H,(H,5,6,7);1H

Weigh it out

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

Names and synonyms

7 names
  • 2(1H)-Pyrimidinone, hydrochloride (1:1)
  • 2(1H)-Pyrimidinone, monohydrochloride
  • 2-Pyrimidinol, hydrochloride
  • 2-Hydroxypyrimidine hydrochloride
  • Pyrimidin-2-one monohydrochloride
  • 2-Hydroxypyrimidine monohydrochloride
  • 1,2-Dihydropyrimidin-2-one hydrochloride

Work with 2-Pyrimidinone 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

Pyrimidone557-01-782 % similar 4-Methyl-2-pyrimidinol monohydrochloride5348-51-646 % similar Uracil66-22-844 % similar 2-Aminomethylpyrimidine hydrochloride372118-67-742 % similar 2-(Chloromethyl)pyrimidine hydrochloride936643-80-042 % similar 2-Pyridone142-08-542 % similar 2-Pyridinol72762-00-642 % similar 2-Mercaptopyrimidine1450-85-741 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook