synthesis, in silico admet, docking, antioxidant, antibacterial and antifungal evaluations of some pyrimidine derivatives

1,2,3,4-tetrahydro-pyrimidine-5-carbonitrile derivatives weresynthesized (compounds 1a-d) by the biginelli reaction ofsubstituted aromatic aldehydes, cyano-ethyl acetate, andurea/thiourea in absolute ethanol. in the next step, acidcompounds (2a-d) were formed via the hydrolysis of nitrilegroup using sulfuric acid (70%), and condensed with theappropriated amino phenol to give the corresponding n-aryl-1,2, 3, 4-tetrahydropyrimidine-5-carboxamide derivatives (3a-d).ftir, 1h-nmr, and 13c-nmr were used to verify the structures ofthe discovered compounds. all of these novel compounds yieldedspectroscopic evidence consistent with their suggestedstructures. compounds having strong anti-fungal action againstcandida neoformans (atcc 208881, h99 type strain) andcandida albicans (atcc 90028, clsi reference) were found bythe communities for antimicrobial drug development in australia.