Highlights • Three pyrimidine derivatives were synthesized as the inhibitors for mild steel. • These inhibitors show good inhibition performance in highly acidic environments. • These inhibitors act as mixed-type ones with predominant cathodic effectiveness. • The adsorption of pyrimidine derivatives follows the Langmuir adsorption isotherm. • The theoretical calculations are in good agreement with the experimental results. Abstract Three pyrimidine derivatives, 6-amino-2-(benzylthio)-4(3 H)-pyrimidinone (BTP-1), 6-amino-3-benzyl-2-(benzylthio)-4(3 H)-pyrimidinone (BTP-2) and 6-(benzyloxy)-2-(benzylthio)-4-pyrimidinamine (BTP-3), were synthesized as corrosion inhibitors for mild steel in 3 M HCl solution. The inhibition performance of these three pyrimidine derivatives was studied by weight loss and electrochemical measurements, surface characterization, and theoretical calculations. It is found that these three pyrimidine derivatives act as mixed-type inhibitors with predominant cathodic effectiveness, and exhibit good inhibition performance with the order of BTP-1 < BTP-2 < BTP-3. Their adsorption behavior follows the Langmuir adsorption model. Based on the experimental results and theoretical calculations, the effect of benzyl substituent at different sites on the inhibition performance of pyrimidine derivatives is discussed. Graphical abstract Image, graphical abstract. [ABSTRACT FROM AUTHOR]
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