CAS 898546-96-8

4-Chloro-6-(3-thienyl)pyrimidine

Description:

4-Chloro-6-(3-thienyl)pyrimidine is a heterocyclic organic compound characterized by a pyrimidine ring substituted with a chlorine atom and a thienyl group. The presence of the chlorine atom at the 4-position and the thienyl group at the 6-position contributes to its unique chemical properties, including potential reactivity and biological activity. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its structure suggests potential applications in pharmaceuticals, particularly in the development of compounds with antimicrobial or anticancer properties, as thienyl and pyrimidine derivatives are often explored in medicinal chemistry. The compound's molecular interactions can be influenced by the electron-withdrawing nature of the chlorine atom and the aromatic character of the thienyl group, which may affect its reactivity and binding affinity in biological systems. As with many heterocycles, it may also participate in various chemical reactions, including nucleophilic substitutions and coupling reactions, making it a versatile building block in organic synthesis.

Formula: C₈H₅ClN₂S

InChI: InChI=1S/C8H5ClN2S/c9-8-3-7(10-5-11-8)6-1-2-12-4-6/h1-5H

InChI key: InChIKey=ZSXJNGUMKWLZNB-UHFFFAOYSA-N

SMILES: ClC1=CC(=NC=N1)C=2C=CSC2

Synonyms:

• Pyrimidine, 4-chloro-6-(3-thienyl)-
• 4-Chloro-6-thien-3-ylpyrimidine
• 4-Chloro-6-(3-thienyl)pyrimidine