A new series of 6‐methoxy‐2‐naphthalene based pyrimidinones were synthesized via one pot‐three component synthetic reaction of aryl aldehydes, 6‐methoxy‐2‐acetonapthone and urea in the presence of nano zinc ferrite catalyst under conventional method. The synthesized compounds were characterized by their spectral techniques including FT‐IR, H1, C13 NMR, LCMS, and analysis of elements. Molecular docking analysis was also performed to identify the protein‐ligand interactions and binding energy of synthesized compounds. Biological studies of all synthesized pyrimidinone compounds have been measured against bacterial and fungal strains by calculating the zone of inhibition.