4-Amino-2-bromo-5-pyrimidinecarbonitrile

C₅H₃BrN₄CAS 94741-70-5199.01 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₅H₃BrN₄
Molar mass: 199.01 g/mol
Exact mass: 197.9541 Da
logP: 0.52Crippen estimate
Polar surface area: 76.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 0

Identifiers

CAS number

94741-70-5

SMILES

N#Cc1c[nH]c(Br)nc1=N

InChIKey

CXYLLFGNJJCGHM-UHFFFAOYSA-N

InChI

InChI=1S/C5H3BrN4/c6-5-9-2-3(1-7)4(8)10-5/h2H,(H2,8,9,10)

Weigh it out

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

Names and synonyms

2 names

5-Pyrimidinecarbonitrile, 4-amino-2-bromo-
4-Amino-2-bromopyrimidine-5-carbonitrile

Work with 4-Amino-2-bromo-5-pyrimidinecarbonitrile

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-Amino-2-methyl-5-pyrimidinecarbonitrile698-29-362 % similar 4-Amino-5-cyanopyrimidine16357-69-047 % similar 5-Cyanouracil4425-56-340 % similar 3-Amino-4-cyanopyrazole16617-46-235 % similar 1H-Pyrrolo[2,3-B]pyridine-3-carbonitrile4414-89-533 % similar 2-Bromobenzonitrile2042-37-731 % similar 2-Amino-5-cyanopyridine4214-73-731 % similar 4-Bromo-3-pyridinecarbonitrile154237-70-430 % similar

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

Same formula

3-Bromo-1H-pyrazolo[3,4-D]pyrimidine1251033-27-8 6-Bromo-9H-purine767-69-1

Elsewhere

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