Dimer self-association via hydrogen bonding: Measurement and comparison of binding constants with 2-amidopyrimidine derivatives

► New self-assembling derivatives of 2-amidopyrimidine were synthesized. ► The association constant for self-assembly was measured via NMR. ► The derivatives with the largest alkyl chains had the lowest association constants. ► DFT results show possible connection to amide syn/anti isomerization.