TY - JOUR ID - 160177 TI - Synthesis, in silico ADMET, docking, antioxidant, antibacterial and antifungal evaluations of some pyrimidine derivatives JO - Eurasian Chemical Communications JA - ECC LA - en SN - 2717-0535 AU - Majeed Hantosh, Ali AU - A. Rajab, Nawal AU - T. Abachi, Faris AD - Department of Medical Chemistry, College of Pharmasy, The University of Mashreq, Baghdad, Iraq AD - Department of Pharmaceutical Chemistry, College of Pharmacy, Mosul University, Mosul, Iraq AD - Department of Pharmaceutics, College of Pharmacy, University of Baghdad, Baghdad, Iraq Y1 - 2023 PY - 2023 VL - 5 IS - 3 SP - 216 EP - 227 KW - DHPM derivatives KW - Biginelli reaction KW - Antimicrobial KW - Antioxidant KW - Molecular docking DO - 10.22034/ecc.2023.346409.1489 N2 - 1,2,3,4-Tetrahydro-pyrimidine-5-carbonitrile derivatives were synthesized (compounds 1a-d) by the Biginelli reaction of substituted aromatic aldehydes, cyano-ethyl acetate, and urea/thiourea in absolute ethanol. In the next step, acid compounds (2a-d) were formed via the hydrolysis of nitrile group using sulfuric acid (70%), and condensed with the appropriated 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 of the discovered compounds. All of these novel compounds yielded spectroscopic evidence consistent with their suggested structures. Compounds having strong anti-fungal action against Candida neoformans (ATCC 208881, H99 Type strain) and Candida albicans (ATCC 90028, CLSI reference) were found by the Communities for Antimicrobial Drug Development in Australia. UR - https://www.echemcom.com/article_160177.html L1 - https://www.echemcom.com/article_160177_413534fa234c32c39d28cf4390124976.pdf ER -