5-Bromo-2(1H)-pyrimidinone

C₄H₃BrN₂OCAS 214290-49-0174.99 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₃BrN₂O
Molar mass: 174.99 g/mol
Exact mass: 173.9429 Da
logP: 0.94Crippen estimate
Polar surface area: 46.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

214290-49-0

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

2 names

5-Bromo-2-pyrimidinol
2-Pyrimidinol, 5-bromo-

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

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.

5-Bromo-2(1H)-pyrimidinone38353-06-9

Similar compounds

2,5-Dibromopyrimidine32779-37-652 % similar 5-Bromo-2-chloropyrimidine32779-36-550 % similar 5-Bromo-2-hydroxypyridine13466-38-148 % similar 5-Bromo-N,N-dimethyl-2-pyrimidinamine38696-21-848 % similar 5-Bromo-2-iodopyrimidine183438-24-648 % similar 5-Chloro-2(1H)-pyrimidinone54326-16-848 % similar 5-Bromo-2-fluoropyrimidine62802-38-448 % similar 5-Bromo-2-methylpyrimidine7752-78-548 % 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(1H)-pyrazinone374063-92-0

Elsewhere

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