4-Amino-6-chloropyrimidine

C₄H₄ClN₃CAS 5305-59-9129.55 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

5305-59-9

SMILES

C1=C(N=CN=C1Cl)N

InChIKey

DUKKRSPKJMHASP-UHFFFAOYSA-N

InChI

InChI=1S/C4H4ClN3/c5-3-1-4(6)8-2-7-3/h1-2H,(H2,6,7,8)

Weigh it out

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

Work with 4-Amino-6-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

4,6-Dichloropyrimidine1193-21-162 % similar Pyrimidine-4,6-diamine2434-56-262 % similar 4-Chloro-6-hydrazinopyrimidine5767-35-150 % similar 6-Amino-4(3H)-pyrimidinone1193-22-248 % similar 4-Chloro-6-methylpyrimidine3435-25-448 % similar 6-Chloro-2-methylpyrimidin-4-amine1749-68-443 % similar 4-Chloro-6-methoxypyrimidine26452-81-343 % similar 4-Chloro-6-trifluoromethylpyrimidine37552-81-143 % 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 5-Chloro-2-pyrimidinamine5428-89-7 5-Amino-4-chloropyrimidine54660-78-5 3-Amino-6-chloropyridazine5469-69-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook