4-Amino-6-chloropyrimidine-5-carbonitrile

C₅H₃ClN₄CAS 60025-09-4154.56 g/mol

Open in Covalent MOL file

Aryl halide Nitrile Primary amine

Properties

Molecular formula: C₅H₃ClN₄
Molar mass: 154.56 g/mol
Exact mass: 154.0046 Da
logP: 0.58Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 1 / 4
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

60025-09-4

SMILES

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

InChIKey

MAVMFCKRFRCMLE-UHFFFAOYSA-N

InChI

InChI=1S/C5H3ClN4/c6-4-3(1-7)5(8)10-2-9-4/h2H,(H2,8,9,10)

Weigh it out

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Work with 4-Amino-6-chloropyrimidine-5-carbonitrile

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

4,6-Dichloropyrimidine-5-carbonitrile5305-45-370 % similar 5,6-Dichloropyrimidin-4-amine310400-38-552 % similar 6-Chloro-5-methylpyrimidin-4-amine14394-56-048 % similar 4-Amino-6-chloropyrimidin-5-ol38953-42-348 % similar 6-Chloro-5-fluoropyrimidin-4-amine851984-15-148 % similar 2-Chloro-4-iodonicotinonitrile1171919-75-747 % similar 5-Amino-4,6-dichloropyrimidine5413-85-443 % similar 2-Chloro-4-methyl-3-pyridinecarbonitrile65169-38-243 % similar

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

Same formula

2-Chloropurine1681-15-8 6-Chloro-1H-pyrazolo[3,4-D]pyrimidine23002-51-9 6-Chloro-[1,2,4]triazolo[4,3-B]pyridazine28593-24-0 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine5399-92-8 6-Chloropurine87-42-3

Elsewhere

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