Nowadays, a lot of new active substances as antiepileptic agents have been developed. One of the protein targets of antiepileptic is selective gamma-aminobutyric acid (GABA). Selective GABA is the regulator of the central nervous system (CNS) activity. In this research, pyrimidine derivatives were used to design the antiepileptic agent through a selective GABA activation. The potential activity of pyrimidine derivatives could be increased by substitution. The molecular docking of selective GABA activation was required to predict their antiepileptic activity. The molecular docking of pyrimidine derivatives was carried out using AutoDockVina ver.1.1.2. Twenty pyrimidine derivatives were docked into GABAa with Protein Data Bank (PDB) code 4cof. The interaction was evaluated based on the docking score