الفهرس 
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Abstract
6-Amino-5-formyluracil (1) was efficiently utilized for construction of a variety of novel heteroannulated pyrimidines. Friedländer condensation reaction of compound 1 with some cyclic active methylene ketones, cyclic enamines and cyclic enols produced a diversity of polyfused systems. On the basis of DFT, the molecular structural parameters as well as a variety of global reactivity descriptors were calculated to inspect the optimized structures of the synthesized compounds. The values of energy gap of the present compounds ranging from 3.75 to 4.82 eV; where compound 16 has the lowest value of energy barrier. To investigate electrophilic and nucleophilic reactivity, the molecular electrostatic potential (MEP) of each molecule was measured. The synthesized compounds were screened in vitro for their bioassays. Quantitative structure activity relationship (QSAR models) was created using a multiple linear regression analysis (MLR) procedures and was used to design the correlations between molecular descriptors and antitumor activity of the prepared compounds.