5-Amino-4-chloropyrimidine

C₄H₄ClN₃CAS 54660-78-5129.55 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₄H₄ClN₃
Molar mass: 129.55 g/mol
Exact mass: 129.0094 Da
logP: 0.71Crippen 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

54660-78-5

SMILES

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

InChIKey

LHGMCUVJFRBVBH-UHFFFAOYSA-N

InChI

InChI=1S/C4H4ClN3/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-chloropyrimidine

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 2,4-Dichloro-5-aminopyrimidine5177-27-550 % similar 5-Bromo-4-chloropyrimidine56181-39-650 % similar 4-Chloro-5-iodopyrimidine63558-65-650 % similar 4-Chloro-5-methoxypyrimidine695-85-250 % similar 5-Amino-4-bromopyrimidine849353-34-050 % similar 3-Amino-2,5-dichloropyridine78607-32-648 % similar 5-Amino-4,6-dichloropyrimidine5413-85-446 % similar

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

Same formula

5-Chloropyrimidin-4-amine101257-82-3 5-Amino-3-chloropyridazine29049-45-4 6-Chloro-2-pyrazinamine33332-28-4 5-Chloro-2-pyrazinamine33332-29-5 2-Amino-4-chloropyrimidine3993-78-0 4-Amino-6-chloropyrimidine5305-59-9 5-Chloro-2-pyrimidinamine5428-89-7 3-Amino-6-chloropyridazine5469-69-2

Elsewhere

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