CAS 1196151-17-3

4-Chloro-2,6-dimethyl-5-pyrimidinecarbonitrile

Description:

4-Chloro-2,6-dimethyl-5-pyrimidinecarbonitrile is a heterocyclic organic compound characterized by its pyrimidine ring structure, which contains nitrogen atoms in the aromatic system. The presence of a chloro group at the 4-position and two methyl groups at the 2 and 6 positions contributes to its unique chemical properties. The carbonitrile functional group at the 5-position enhances its reactivity, making it a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. This compound is typically a solid at room temperature and may exhibit moderate solubility in polar organic solvents. Its molecular structure suggests potential for various chemical reactions, including nucleophilic substitutions and cycloadditions. Additionally, the presence of halogen and cyano groups can influence its biological activity, making it of interest in medicinal chemistry. Safety data should be consulted for handling, as halogenated compounds can pose health risks. Overall, 4-Chloro-2,6-dimethyl-5-pyrimidinecarbonitrile is a significant compound in synthetic organic chemistry with diverse applications.

Formula: C₇H₆ClN₃

InChI: InChI=1S/C7H6ClN3/c1-4-6(3-9)7(8)11-5(2)10-4/h1-2H3

InChI key: InChIKey=LNXQVYJSIURADC-UHFFFAOYSA-N

SMILES: C(#N)C=1C(C)=NC(C)=NC1Cl

Synonyms:

• 4-Chloro-2,6-dimethyl-5-pyrimidinecarbonitrile
• 5-Pyrimidinecarbonitrile, 4-chloro-2,6-dimethyl-