5-Bromo-4(3H)-pyrimidinone

C₄H₃BrN₂OCAS 19808-30-1174.98 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₄H₃BrN₂O
Molar mass: 174.98 g/mol
Exact mass: 173.9429 Da
Melting point: 199–200 °C
logP: 0.94Crippen estimate
Polar surface area: 46.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Identifiers

CAS number

19808-30-1

SMILES

Oc1ncncc1Br

InChIKey

CLJIGLPOBRSBNU-UHFFFAOYSA-N

InChI

InChI=1S/C4H3BrN2O/c5-3-1-6-2-7-4(3)8/h1-2H,(H,6,7,8)

Weigh it out

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

Names and synonyms

7 names

4(3H)-Pyrimidinone, 5-bromo-
4(1H)-Pyrimidinone, 5-bromo-
4-Pyrimidinol, 5-bromo-
5-Bromo-4-hydroxypyrimidine
5-Bromopyrimidin-4(1H)-one
5-Bromopyrimidin-4-ol
5-Bromo-1H-pyrimidin-6-one

Work with 5-Bromo-4(3H)-pyrimidinone

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-Bromo-4-chloropyrimidine56181-39-650 % similar 5-Fluoro-4(3H)-pyrimidinone671-35-250 % similar 3,5-Dibromo-2(1H)-pyridinone13472-81-648 % similar 5-Bromouracil51-20-748 % similar 3-Bromo-2(1H)-pyridinone13466-43-846 % similar 3-Bromo-5-nitro-2(1H)-pyridinone15862-33-638 % similar Methyl 1,6-dihydro-6-oxo-5-pyrimidinecarboxylate4774-35-038 % similar 5-Bromo-1,7-naphthyridin-8(7H)-one67967-14-036 % similar

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

Same formula

2-Bromopyrimidin-5-ol1240621-87-7 5-Bromo-2-pyrimidinol214290-49-0 5-Bromo-2(1H)-pyrazinone374063-92-0 5-Bromo-2(1H)-pyrimidinone38353-06-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook