5-Amino-4-bromopyrimidine

C₄H₄BrN₃CAS 849353-34-0174.00 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₄H₄BrN₃
Molar mass: 174.00 g/mol
Exact mass: 172.9589 Da
logP: 0.82Crippen estimate
Polar surface area: 51.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

849353-34-0

SMILES

C1=C(C(=NC=N1)Br)N

InChIKey

NXYSMLJPDPVHOE-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 5-Amino-4-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

5-Amino-4-methylpyrimidine3438-61-750 % similar 5-Amino-4-chloropyrimidine54660-78-550 % similar 2,5-Dibromo-3-pyridinamine90902-84-448 % similar 2-Bromo-5-methyl-3-pyridinamine34552-14-245 % similar 3-Amino-2-bromo-5-fluoropyridine884495-03-845 % similar 3-Amino-2-bromo-5-chloropyridine90902-83-345 % similar 3-Amino-2-bromopyridine39856-58-145 % similar 3-Amino-4-bromopyridine239137-39-440 % similar

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

Same formula

4-Amino-5-bromopyrimidine1439-10-7 2-Amino-4-bromopyrimidine343926-69-2 2-Amino-5-bromopyrazine59489-71-3 2-Amino-5-bromopyrimidine7752-82-1 6-Bromo-3-pyridazinamine88497-27-2

Elsewhere

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