Synthesis, X-ray diffraction, thermogravimetric and DFT analyses of pyrimidine derivatives.An eco-benign synthesis of pyrimidine derivatives 2a,b containing different functional groups with different electronic character starting from nitroalkenes 1a and 2b has been described.  The thermal data of the molecules pointed towards important structural aspects of their stability.  The mechanism of their thermal decomposition is discussed.  The thermodynamic parameters of the dissociation steps were evaluated and discussed. 
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