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. 2021 May 24;6(22):14154–14163. doi: 10.1021/acsomega.1c00671

Table 2. Basicity of 4,6-Dihydroxypyrimidine Derivatives.

compound pKb1 pKb2 pKb3
1 0.21;14 0.23;3 0.17 ± 0.01 –6.10;3 −6.24 ± 0.48  
2 –0.41 ± 0.03; −0.3014 –7.06 ± 0.37  
3 –0.90 ± 0.06 –3.62 ± 0.02 –9.27 ± 0.54
7 –0.03 ± 0.04 –5.81 ± 0.35  
8 –6.04 ± 0.32    
9 –5.92 ± 0.80    
uracil36 –2.38 –7.3 (Ha) ∼ (−12.1 Ho)a  
thymine36 –3.02 –6.8 (Ha) ∼ (−10.9 Ho)a  
a

Acidity score at the half-protonation point.