Crystal structure, antibacterial and antifungal evaluation of 5-bromothiophene based 3,4-dihydropyrimidin-2-(1H)-(thi)ones

Herein, a solvent-free synthesis of 5-bromothiophene based 3,4-dihydropyrimidin-2-(1H)-(thi)ones was explored. The main advantages of this study are that pure products are readily obtained through an easy workup and without using any separation technique and in good yields (66-80% yield), All the synthesized products were characterized by H-1 and C-13-APT NMR, IR spectroscopy and elemental analysis. A single crystal X-ray analysis of ethyl-4-(5-bromothiophen-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (4c) was performed. All the synthesized compounds were screened for their antifungal and antibacterial assay. Among all synthesized compounds, some showed good antibacterial and antifungal activity. ADMET prediction for was carried out and calculated data show that all the compounds have a drug-like nature.

Automated summary

A solvent-free synthesis of 5-bromothiophene based 3,4-dihydropyrimidin-2-(1H)-(thi)ones was investigated in this study. The main advantages include the easy workup process to obtain pure products without the need for separation techniques, and the high yields achieved (66-80%). The synthesized compounds were characterized using various analytical techniques and evaluated for their antifungal and antibacterial activity, showing promising results. ADMET prediction revealed that all compounds possess drug-like properties.