Synthesis, Antitubercular Activity, and Molecular Docking Studies of Novel 2-(4-Chlorobenzylamino)-4-(cyclohexylmethylamino)-pyrimidine-5-carboxamides.

A novel series of 2-(4-chlorobenzylamino)-4-(cyclohexylmethylamino)-pyrimidine-5-carboxamide derivatives are synthesized and their structures are confirmed by ¹H and ¹³C NMR, and MS spectral data. The compounds are screened for their antitubercular activity, and those with aryl moiety 7o, 7q, and 7r demonstrate potent activity against Mycobacterium tuberculosis. Docking studies suggest a mode of interaction of the products with the binding site of enoyl-CoA hydratase demonstrating that the target compounds were potential anti-TB agents. [ABSTRACT FROM AUTHOR]