Synthesis of New Pyrimidine Derivatives, Study of Anti-Сancer Activity, Structural Properties, and Molecular Docking

New pyrimidine derivatives were synthesized through domino Knoevenagel–Michael cyclization reactions of aryl aldehydes, ethyl cyanoacetate, and guanidine hydrochloride or urea under a basic catalysis. Cytotoxic activity of the prepared compounds against MCF-7 and HepG2 tumor cell lines was investigated by the MTT test. Compound geometry analysis was performed using the B3LYP functional with a 6-311+G(d,p) basis set. The estimated geometries were very similar to the experimental ones.