In this research paper, we present a comprehensive study on the synthesis, molecular docking analysis, ADMET characterization, and antimicrobial activity evaluation of a novel pyrrolo[2,3-d]pyrimidine derivative along with a specific focus on Compound RP-3, which demonstrated exceptional activity with a notably negative docking score of -7.4 kcal/mol. pyrrolo[2,3-d]pyrimidine derivative was synthesized using established chemical protocols, and its structural identity was confirmed through various spectroscopic techniques. Subsequently, molecular docking studies were conducted to investigate the potential interactions between the synthesized compound and a target protein associated with the antimicrobial activity. Remarkably, Compound RP-3 exhibited a strikingly low docking score of -7.4 kcal/mol, suggesting a strong binding affinity with the target protein. Furthermore, the ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) properties of Compound RP-3 were assessed to ascertain its safety and suitability as a potential drug candidate. The ADMET data indicated favourable pharmacokinetic and safety profiles, reinforcing its potential as a lead compound for further drug development. Antimicrobial activity evaluations were performed to validate the biological efficacy of Compound RP-3. The compound displayed potent antimicrobial activity against a range of microbial strains, demonstrating its potential as a promising antimicrobial agent. The pyrrolo[2,3-d]pyrimidine derivative, specifically Compound RP-3, shows promising attributes as a novel antimicrobial candidate. The exceptionally negative docking score, strong binding affinity, favourable ADMET properties, and potent antimicrobial activity highlight the potential of this compound for further investigation and development as a therapeutic agent in the fight against microbial Infections.