CAS 945896-76-4

6-Chloro-N-[(4-chlorophenyl)methyl]-4-pyrimidinamine

Description:

6-Chloro-N-[(4-chlorophenyl)methyl]-4-pyrimidinamine, with the CAS number 945896-76-4, is a chemical compound characterized by its pyrimidine core, which is a six-membered heterocyclic ring containing two nitrogen atoms at the 1 and 3 positions. This compound features a chloro substituent at the 6-position of the pyrimidine ring and a side chain consisting of a 4-chlorobenzyl group attached to the nitrogen atom at the 4-position. The presence of chlorine atoms in both the pyrimidine and phenyl rings contributes to its potential biological activity and lipophilicity. The compound may exhibit properties such as moderate solubility in organic solvents and limited solubility in water, typical of many halogenated organic compounds. Its structural characteristics suggest potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific biological pathways. As with many compounds, safety and handling precautions should be observed due to the presence of chlorine, which can impart toxicity and environmental concerns.

Formula: C₁₁H₉Cl₂N₃

InChI: InChI=1S/C11H9Cl2N3/c12-9-3-1-8(2-4-9)6-14-11-5-10(13)15-7-16-11/h1-5,7H,6H2,(H,14,15,16)

InChI key: InChIKey=GOVZDEXTIMDLQK-UHFFFAOYSA-N

SMILES: C(NC=1C=C(Cl)N=CN1)C2=CC=C(Cl)C=C2

Synonyms:

• 4-Pyrimidinamine, 6-chloro-N-[(4-chlorophenyl)methyl]-
• 6-Chloro-N-[(4-chlorophenyl)methyl]-4-pyrimidinamine