5-Bromo-2-(methylsulfonyl)pyrimidine

C₅H₅BrN₂O₂SCAS 38275-48-8237.07 g/mol

Open in Covalent MOL file

Aryl halide Sulfone

Properties

Molecular formula: C₅H₅BrN₂O₂S
Molar mass: 237.07 g/mol
Exact mass: 235.9255 Da
logP: 0.64Crippen estimate
Polar surface area: 59.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Identifiers

CAS number

38275-48-8

SMILES

CS(=O)(=O)c1ncc(Br)cn1

InChIKey

MVIRMXABVKJKAR-UHFFFAOYSA-N

InChI

InChI=1S/C5H5BrN2O2S/c1-11(9,10)5-7-2-4(6)3-8-5/h2-3H,1H3

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Names and synonyms

2 names

Pyrimidine, 5-bromo-2-(methylsulfonyl)-
NSC 262216

Work with 5-Bromo-2-(methylsulfonyl)pyrimidine

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

4-Bromophenyl methyl sulfone3466-32-847 % similar 4,6-Dimethyl-2-(methylsulfonyl)pyrimidine35144-22-041 % similar 1-(5-Bromopyrimidin-2-yl)ethanone1189169-37-639 % similar 4-Chloro-2-(methylsulfonyl)pyrimidine97229-11-339 % similar 5-Bromo-N,N-dimethyl-2-pyrimidinamine38696-21-839 % similar 5-Bromo-2-pyrimidinol214290-49-038 % similar 5-Bromo-2(1H)-pyrimidinone38353-06-938 % similar 5-Bromo-2-fluoropyrimidine62802-38-438 % similar

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

Same formula

Methyl 2-amino-5-bromothiazole-4-carboxylate850429-60-6

Elsewhere

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