X-ray structure of 2,6-dimethoxy-7-methylpurine

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The title compound (C8H10N4O2) is monoclinic, with a = 7.740(2), b = 17.044(7), c = 6.992(3) Å, β = 100.60(1)°, and space group P21/c. Two O-methyl groups are coplanar with the pyrimidine ring. Whereas, the O(6)-methyl group is directed away from the imidazole ring toward the N(1) atom, the O(2)-methyl is pointed away from the N(1) atom toward the N(3) atom. Two intermolecular hydrogen bonds H(8)···N(1) and H(711)···O(2) of 2.48(2) and 2.58(3) Å make a linear arrangement of the molecules. The conformation of the O-methyl groups explains some results of thermal rearrangement of 2,6-dialkoxy-7-methylpurines and differences in alkylations of 2,4-dialkoxypyrimidines and 2,6-dialkoxy-7-methylpurines.

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