For Abstract see ChemInform Abstract in Full Text.

Novel 4-amino-6-aryl-2-phenylpyrimidine-5-carbonitriles have been prepared in one step procedure from the readily available 4-aryl-2-amino-3-cyano-5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo-4H-benzopyrans. The mass spectroscopy study under EI conditions shows molecular peaks with high intensity corresponding to the loss of benzonitrile from the C2 position of the pyrimidine ring. Semiempirical (AM1 and PM3) and ab initio HF/6-31G* calculations reveal a favored distorted geometry where the three rings are not in the same plane.