4-Amino-2-bromo-5-pyrimidinecarbonitrile

C5H3BrN4CAS 94741-70-5199.01 g/mol

Open in Covalent MOL file
NNHBrNHN
Aryl halideNitrile

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 3-Cyanoindole5457-28-334 % similar 5-Bromo-3-cyano-2-hydroxypyridine405224-22-834 % similar 7-Azaindole-3-carbonitrile4414-89-533 % similar 3-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile1262411-25-533 % 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

PubChem CAS Common Chemistry NIST WebBook