4-Amino-5-bromopyrimidine

C₄H₄BrN₃CAS 1439-10-7174.00 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₄BrN₃
Molar mass: 174.00 g/mol
Exact mass: 172.9589 Da
Melting point: 208–210 °C
logP: 0.65Crippen estimate
Polar surface area: 52.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Identifiers

CAS number

1439-10-7

SMILES

N=c1[nH]cncc1Br

InChIKey

IIFAONYUCDAVGA-UHFFFAOYSA-N

InChI

InChI=1S/C4H4BrN3/c5-3-1-7-2-8-4(3)6/h1-2H,(H2,6,7,8)

Weigh it out

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

Names and synonyms

4 names

4-Pyrimidinamine, 5-bromo-
Pyrimidine, 4-amino-5-bromo-
5-Bromo-4-pyrimidinamine
5-Bromopyrimidin-4-amine

Work with 4-Amino-5-bromopyrimidine

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

4,5-Diaminopyrimidine13754-19-352 % similar 4-Bromoimidazole2302-25-244 % similar 5-Bromocytosine2240-25-744 % similar 5-(4-Chlorophenyl)-4-pyrimidinamine35202-25-642 % similar 1,3,5-Triazin-2-amine4122-04-737 % similar 5-Bromo-3,4-dimethyl-2-pyridinamine374537-97-036 % similar 7-Bromo-1H-pyrrolo[3,2-C]pyridine902837-42-735 % similar 5-Chloro-1H-imidazole15965-31-834 % similar

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

Same formula

2-Amino-5-bromopyrimidine7752-82-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook