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The purpose of this study was to prepare various derivatives of 4-amino-2-(3-fluoro-5-(trifluoromethyl)phenyl)-6-arylpyrimidine-5-carbonitrile ( 6a–6h ) using a three-step procedure. The derivatives were screened  in vitro  for activity against  Mycobacterium tuberculosis  strain  H37Rv . The activity was expressed as the minimum inhibitory concentration (MIC) in μg/mL (μM). Eight compounds showed activity against Mtb H37Rv, and among them,  6f  showed the best value of MIC, IC 50  (53 μM) and IC 90  (62 μM). Minimum bactericidal concentration of compound  6f  was higher than its MIC and was more time-dependent than the concentration. Compound  6f  was more active against  M. tuberculosis  H37Rv under low oxygen than metronidazole and did not show good potency in different treatments and non-tuberculous mycobacteria. Furthermore, a molecular docking study against mycobacterial enoyl-ACP reductase (InhA) could provide valuable insights into the plausible mechanism of action, which could set the theme for lead optimization.

Synthesis of fluoro-rich pyrimidine-5-carbonitriles as antitubercular agents against H37Rv receptor