Aim: To synthesize and grow pyrimidine based cytosinium nitrate single crystals and characterize the grown crystals for structural, optical, mechanical, dielectric and proliferation assay. Methodology Cytosinium nitrate, a semi organic material was synthesized and single crystals were grown from aqueous solution employing the technique of controlled slow evaporation. Results and Discussion: The lattice parameter of the grown crystal was determined using single crystal X __ampersandsignndash; ray diffractometer. Fourier transform infrared spectral analysis is carried out to identify the functional group of the grown crystal. The grown crystals were characterized using UV __ampersandsignndash; Vis __ampersandsignndash; NIR and dielectric analysis. Mechanical strength was estimated using Vickers microhardness test. The crystal exhibits reverse indentation size effect and belongs to soft material category. A sharp emission peak was observed in photoluminescence spectrum at 378 nm. The anti __ampersandsignndash; proliferative property of grown crystal was tested on human lung cancer cell line A549. Conclusion: All these investigations were used to reveal the properties like structural, dielectric parameters, optical, mechanical, surface morphology and biological activity.