chempirical

5-Bromo-2(1H)-pyrimidinone

C4H3BrN2OCAS 38353-06-9174.99 g/mol

Open in Covalent MOL file
HONBrN
Aryl halidePhenol

Properties

Molecular formula
C4H3BrN2O
Molar mass
174.99 g/mol
Exact mass
173.9429 Da
Melting point
241–243 °C
logP
0.94Crippen estimate
Polar surface area
46.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
38353-06-9
SMILES
Oc1ncc(Br)cn1
InChIKey
VTUDATOSQGYWML-UHFFFAOYSA-N
InChI
InChI=1S/C4H3BrN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)

Weigh it out

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

Names and synonyms

9 names
  • 2(1H)-Pyrimidinone, 5-bromo-
  • 2-Pyrimidinol, 5-bromo-
  • 5-Bromo-2-hydroxypyrimidine
  • 5-Bromo-2-pyrimidinone
  • 2-Oxo-5-bromopyrimidine
  • NSC 528730
  • 2-Hydroxy-5-bromopyrimidine
  • 5-Bromo-1H-pyrimidin-2-one
  • 5-Bromopyrimidin-2-ol

Work with 5-Bromo-2(1H)-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-2-hydroxypyridine13466-38-148 % similar 5-Bromo-N,N-dimethyl-2-pyrimidinamine38696-21-848 % similar 5-Chloro-2(1H)-pyrimidinone54326-16-848 % similar 5-Bromo-2-fluoropyrimidine62802-38-448 % similar 3,5-Dibromo-2(1H)-pyridinone13472-81-644 % similar 5-Bromouracil51-20-744 % similar 5-Bromo-2-pyrimidinecarbonitrile38275-57-942 % similar 5-Bromo-3-(trifluoromethyl)-2(1H)-pyridinone76041-79-742 % similar

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

Same formula

2-Bromopyrimidin-5-ol1240621-87-7 5-Bromo-4(3H)-pyrimidinone19808-30-1 5-Bromo-2-pyrimidinol214290-49-0 5-Bromo-2(1H)-pyrazinone374063-92-0

Elsewhere

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