Mol. No. Molecular Formula R1 R2 R3 2D-Structure 1 C11H10N2S -SH -C6H5 -CH3 2 C11H10N2S -SH -CH3 -C6H5 3 C11H10N2S -CH3 -C6H5 -SH 4 C12H12N2OS -SH -C6H4OCH3 -CH3 5 C11H10N2OS -SH -C6H5 -OCH3 6 C12H12N2OS -SH -CH2C6H5 -OCH3 7 C17H14N2S -SCH3 -C6H5 -C6H5 8 C17H14N2OS -SCH3 -C6H4OH -C6H5 9 C18H16N2OS -SCH3 -C6H4OCH3 -C6H5 10 C17H13N3O -NH2 -COC6H5 -C6H5 11 C18H15N3O -NHCOCH3 -C6H5 -C6H5 12 C17H13N3O2 -NH2 -COOC6H5 -C6H5 13 C13H13N3 -NH2 -CH=CHC6H5 -CH3 14 C16H13N3O2 -NH2 -C6H4OH -C6H4OH 15 C17H14N2O -CH2OH -C6H5 -C6H5 16 C11H11N3O -CH2OH -C6H5 -NH2 17 C17H14N2O2 -CH2OH -C6H5 -C6H4OH 18 C17H13ClN2O -CH2OH -C6H5 -C6H4Cl 19 C18H13ClN2O -COC6H5 -CH3 -C6H4Cl 20 C5H7N3S -NH2 -CH3 -SH

Table 1: List of Pyrimidine class of molecules designed along with their position of substation group and structural formula.