chempirical

5-Bromo-2-chloro-N-cyclopentyl-4-pyrimidinamine

C9H11BrClN3CAS 733039-20-8276.56 g/mol

Open in Covalent MOL file
ClNBrNHN
Aryl halide

Properties

Molecular formula
C9H11BrClN3
Molar mass
276.56 g/mol
Exact mass
274.9825 Da
logP
2.67Crippen estimate
Polar surface area
41.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
733039-20-8
SMILES
Clc1ncc(Br)c(=NC2CCCC2)[nH]1
InChIKey
DIVUXBABVYOIOT-UHFFFAOYSA-N
InChI
InChI=1S/C9H11BrClN3/c10-7-5-12-9(11)14-8(7)13-6-3-1-2-4-6/h5-6H,1-4H2,(H,12,13,14)

Weigh it out

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

Names and synonyms

3 names
  • 4-Pyrimidinamine, 5-bromo-2-chloro-N-cyclopentyl-
  • N-(5-Bromo-2-chloropyrimidin-4-yl)(cyclopentyl)amine
  • 5-Bromo-2-chloro-4-(cyclopentylamino)pyrimidine

Work with 5-Bromo-2-chloro-N-cyclopentyl-4-pyrimidinamine

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

3-[2-Chloro-4-(cyclopentylamino)-5-pyrimidinyl]-2-propyn-1-ol1374639-76-555 % similar 2-Chloro-4,5-pyrimidinediamine14631-08-432 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook