A novel series of molecules structurally related to 2-anilinopyrimidine were designed, synthesized, and structurally evaluated for their physicochemical and biological properties, including CDK9 inhibitory, cytotoxic, and antiproliferative activities against human lung fibroblasts (WI-38), hepatocellular carcinoma (HepG2), colorectal carcinoma (HCT116), mammary gland breast cancer (MCF7), and epithelioid carcinoma (HeLa). This evidence concerns the gene CDK9 and colorectal carcinoma.