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This study reports the synthesis of new indol(1H-3-yl) pyrimidine derivatives 4(a-e) using various substituted indole-3-carbaldehydes, urea and malononitrile in the presence of ammonium chloride. The resulting compounds were characterized using analytical and spectroscopic methods. The molecular docking study exhibits that among the synthesized compounds, 4(c-e) have great binding ability toward B-DNA. The binding efficiencies of compounds 4(c-e) with CT-DNA were evaluated via UV-visible absorption spectral and viscosity studies. The findings establish that the compounds firmly bind through an intercalative mode to CT-DNA and provide a unique pattern of DNA binding. The photo-induced cleavage indicates that the compounds have UV-visible photo nuclease properties toward plasmid DNA as revealed by agarose gel electrophoresis approach. [ABSTRACT FROM AUTHOR]

In the title compound, C14H15N3O4S, the tetra­hydro­pyrimidine ring adopts a half-boat form. There are inter­molecular N—H⋯O hydrogen bonds and π–π stacking inter­actions. [ABSTRACT FROM AUTHOR]

The crystal structure of the title compound, C17H20N2O5, is stabilized by C—H...O and N—H...O hydrogen bonds. [ABSTRACT FROM AUTHOR]

X-ray characterization of 7-methyl-5,6,7,8- tetrahydro[1]benzothieno [2,3-d]pyrimidin-4[3H]one is described. The compound crystallizes in the monoclinic space group P21/c with a=7.0013(2)Å, b=8.3116(3)Å, c=18.374(6)Å, β=91.746(2)°, V=1068.76(6)Å3, z=4. The structure was solved using the direct method and refined to reliability R-factor of 0.0639 using 3180 independent reflections The crystal structure is further stabilized by intermolecular C-H…N, N-H…N C-H…O, N-H…O, and π-π interactions. [ABSTRACT FROM AUTHOR]