Three compounds of lead-based complex perovskites Pb2MReO6 (M=Cr, Mn and Fe) have been investigated in detail based on density functional theory (DFT) using local spin density approximation (LSDA) and (LSDA+U) methods. By introducing a series of 3d-ions in M-site, the number of valence electrons that occupied the 3d-orbitals can be increased from Cr3+(3d3) to Mn2+(3d5) and Fe3+(3d5), and this beside the effect of energy U are the main factors that influenced the physical properties of Pb2MReO6. Magnetic and electronic calculations showed that all Pb2MReO6 compounds have ferrimagnetic half-metallic (FI-HM) properties. FI-HM are attributed to the M (3d)–Re (5d) hybridization through the strong 180° super-exchange (SE) interaction via the long-range pathway M (3d)↑–O (2p)–Re (5d)↓, in conformity with both Pauli Exclusion principles and Goodenough-Kanamori rules. This result is interpreted within a scenario where the Re (5d) states play a crucial role in the FI-HM ground state.