2-Pyrimidinone hydrochloride

C₄H₅ClN₂OCAS 38353-09-2132.55 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Danger

H314 Causes severe skin burns and eye damage14.3% of notifiers
H315 Causes skin irritation85.7% of notifiers
H318 Causes serious eye damage14.3% of notifiers
H319 Causes serious eye irritation85.7% of notifiers
H335 May cause respiratory irritation71.4% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Pyrimidone557-01-7Free base

Similar compounds

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-Pyridone72762-00-642 % similar 2-Mercaptopyrimidine1450-85-741 % similar 2,2′-Bipyrimidine34671-83-540 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Chloromethyl)-5-methyl-1,3,4-oxadiazole3914-42-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook