Chalcones are the condensation products of aromatic aldehyde with acetophenones in the presence of suitable catalysts. In synthesizing range of therapeutic compounds, chalcones impart key role. They have been showed worth mentioning therapeutic efficacy for the treatment of various diseases. Chalcone based derivatives have gained attention since they own simple structures, and diverse pharmacological actions. A lot of methods and schemes have been reported for the synthesis chalcone compounds and their derivatives. Amongst all, Aldol condensation and claisen-schmidt condensation still grasp high up position. In this research work, reaction of chalcones with urea and thiourea are discussed. The product obtained by this reaction are taken as ligand and reacted with metal ions to get the final product. The purpose of this study is to synthesize and characterize the pyrimidine derivatives of chalcones and its transition metal complexes. The compounds were synthesized by condensation of chalcones with urea and thiourea. Their transition metal complexes were synthesized by reacting these compounds with transition metal salts like nickel chloride, cobalt chloride, copper chloride, magnesium sulphate and iron sulphate. The compounds and metal complexes were characterized by IR spectroscopy. The synthesized compounds and their transition metal complexes particularly complexes Ib and IIf showed moderate values while Ic, IIc, IIb, IIe and IId have shown excellent anti-bacterial and ant-fungal activities against. Escherichia coli (E.c.), Pseudomonas aeruginosa (P.a), Aspergillus niger (A.n.), Aspergillus flavus (A.f.). Therefore, it could be concluded that these molecules might act as future antibacterial candidates.