Half sandwich complexes of the type [(5-C5Me5)M(L1-3)Cl]Cl.2H(2)O were synthesized using [{((5)-C5Me5)M(-Cl)Cl}(2)], where M=Rh(III)/Ir(III) and L1-3=pyrimidine-based ligands. The complexes were characterized by spectral analysis. DNA interaction studies by absorption titration and hydrodynamic measurement and suggest intercalative mode of binding of complexes with CT-DNA. The molecular docking study also supports intercalation of the complexes between the stacks of nucleotide base pairs. The gel electrophoresis assay demonstrated the ability of the complexes to interact and cleave plasmid DNA. Minimum inhibitory concentrations (MIC) of the complexes were investigated by the microdilution broth method. The cytotoxic properties of the metal complexes were evaluated using brine shrimp lethality bioassay.