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A series of diverse furo[2,3- d ]pyrimidines ( 2a–2b ,  4a–4d  and  8a–8c ) and benzofuro[3,2- d ]pyrimidines ( 12a–12c ) were synthesized and screened for their antitumor effects against HepG2, Bel-7402 and HeLa cell lines  in vitro . Representatively,  4a,  with an IC 50  of 0.70 μM, exhibited the best antitumor activity against the tested HepG2 cell lines. Molecular docking investigation further revealed the possible binding modes of compound  4a  with receptor tyrosine kinase. Preliminary results indicated that the title compounds were helpful as leading structures for preparing a new antitumor drug.

Synthesis and anticancer activities of diverse furo[2,3- d ]pyrimidine and benzofuro[3,2- d ]pyrimidine derivatives