The museum was founded toward the end of the XIX century due to the efforts of Ukrainian intellectuals, who aimed to create the first museum in Kyiv that was free and open to the public. The building itself was designed by Moscow architect Petro Boitsov in a neo-classical style, which was later revised and carried out by Kyiv architect Vladyslav Horodetskiy. The sculptures decorating the façade were created in the workshop of Elio Salia. The first exhibit opened in August 1899 in honor of the ХІ All-Russian Archaeology Conference, but in a partly constructed building of the Kyiv City Museum of Antiquity and Art. The official opening of the museum took place on December 30, 1904.

After nationalization in 1919, the museum was renamed the First State museum, before becoming the Taras Shevchenko All-Ukrainian History Museum in 1924-1936. In 1936, the institution was once again renamed as the Ukrainian State Museum, becoming the State Museum of Ukrainian Art in 1939. During the German occupation of Kyiv in 1942, the museum was integrated with the Russian art collection, subsumed by the State Museum of East European Art. Once the Red Army retook Kyiv, the museum’s previous status was restored. These name changes reflect not just Ukraine’s complicated past, but also various stages of Ukrainian museum work restoration. For example, the names reflect changes in the museum collection’s profile and the transfer of certain parts of the collection in order to establish other museums in the Kyiv.

In 1994, the institution was renamed the National Art Museum of Ukraine, reflecting its status as the primary repository for Ukrainian art.