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. Author manuscript; available in PMC: 2015 Nov 14.
Published in final edited form as: Org Biomol Chem. 2014 Nov 14;12(42):8367–8378. doi: 10.1039/c4ob01063a

Fig. 12.

Fig. 12

Calculated N1 acidity for pyrimidines are given as the free energy (ΔG, kcal mol−1) of deprotonation in the gas phase and bulk solution (parenthetical values).91 Lower values indicate greater N1 acidity and better leaving-group quality.