5-Bromo-2-(methylsulphonyl)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

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

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

Weigh it out

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Names and synonyms

3 names

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

Work with 5-Bromo-2-(methylsulphonyl)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

1-Bromo-4-(methylsulphonyl)benzene3466-32-847 % similar 5-Bromo-2-methylpyrimidine7752-78-543 % similar 3-Bromophenylmethylsulfone34896-80-541 % similar 2,5-Dibromopyrimidine32779-37-641 % similar 4,6-Dimethyl-2-methylsulfonylpyrimidine35144-22-041 % similar 1-(5-Bromopyrimidin-2-yl)ethanone1189169-37-639 % similar 4,6-Dichloro-2-(methylsulfonyl)pyrimidine4489-34-339 % similar 5-Bromo-2-chloropyrimidine32779-36-539 % 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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