Cancer is one of the most difficult diseases to treat, threatening the lives of millions of people today. So far, various methods have been used to treat cancer, each having its drawbacks. One of these methods is treatment with anticancer drugs, which unfortunately have severe side effects. One of the causes of these complications is the nonspecific effects of anticancer drugs, which attack normal cells in addition to cancer cells and damage healthy tissues. In this study, we are trying to reduce the side effects and increase the efficacy of the drug by providing smart drug delivery. The metal-organic framework (MOF) was rapidly synthesized using a microwave method and at the nanoscale. The particle size of NMOF-5 was 18-20 nm, and its surface area was 2690 m·g. A chitosan polymer coating was formed on the nanocarrier after 6-mercaptopurine was introduced. The biocompatible nanocarrier exhibited a high capacity to adsorb the drug. The biocompatible nanocarrier slowly and uniformly released 96.78% of the drug in a simulated solution at pH 5 and 20.52% at pH 7.4. This showed that CS-6-MP-NMOF-5 released the drug smartly and pH-sensitively. The stability of the biocompatible nanocarrier was studied at different pH values and remained stable at pH 5 for up to 48 h. The toxicity study of the MCF-7 cell line at different concentrations for 24 h showed the excellent performance of the biocompatible nanocarrier compared to the free drug in terms of toxicity to breast cancer cells.