4-Amino-5-bromopyrimidine

C4H4BrN3CAS 1439-10-7174.00 g/mol

Open in Covalent MOL file
HNHNNBr
Aryl halide

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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 3,4,5-Tribromopyridine2457-48-937 % similar 1,3,5-Triazin-2-amine4122-04-737 % similar 5-Bromo-3,4-dimethyl-2-pyridinamine374537-97-036 % similar 4-Bromo-1H-pyrrolo(2,3-c)pyridine69872-17-935 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-4-bromopyrimidine343926-69-2 2-Amino-5-bromopyrazine59489-71-3 2-Amino-5-bromopyrimidine7752-82-1 5-Amino-4-bromopyrimidine849353-34-0 6-Bromo-3-pyridazinamine88497-27-2

Elsewhere

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