2-Amino-4-chloropyrimidine

C₄H₄ClN₃CAS 3993-78-0129.55 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

3993-78-0

SMILES

C1=CN=C(N=C1Cl)N

InChIKey

DBGFGNCFYUNXLD-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-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

2,4-Dichloropyrimidine3934-20-156 % similar 2-Amino-4-bromopyrimidine343926-69-250 % similar 4-Chloro-2-methylpyrimidine4994-86-950 % similar 4-Chloro-2-(methylthio)pyrimidine49844-90-848 % similar 4-Chloro-2-phenylpyrimidine14790-42-245 % similar 2-Amino-4-(trifluoromethyl)pyrimidine16075-42-645 % similar 4-Amino-2-chloropyridine14432-12-345 % similar 6-Chloro-2-pyridinamine45644-21-143 % 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 4-Amino-6-chloropyrimidine5305-59-9 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