Research Article

Mathematical Analysis of a Series of 4-Acetylamino-2-(3,5-dimethylpyrazol-1-yl)-6-pyridylpyrimidines: A Simple Way to Relate Quantum Similarity to Local Chemical Reactivity Using the Gaussian Orbitals Localized Theory

Table 7

Fukui function, in the molecular fragment of the most reactive compound 6 with respect to the compound 4, of the substitute groups (R( )) in Figure  2; see Table 1.

624891.tab.002

Compound 6 Versus Comp. 4

C300.00420.06520.0347C300.0181 0.0674 0.0428
C310.25150.06860.1601C310.1536 0.0514 0.1025
C320.25430.06800.1612C320.0468 0.0904 0.0686
C33*0.09920.01120.0552C33*0.0230 0.0161 0.0196
C350.10050.10050.0573C370.0879 0.0101 0.0490
C360.00140.08460.0430C380.0872 0.1010 0.0941
O380.11910.00350.0613O400.1151 0.0027 0.0589
O440.11440.00280.0586

Carbon asymmetric in the substituent R of compound 6 with respect to compound 4; see Table 1.