Kratochvil, Martin published the artcileMethylated uracil dimers: potential energy and free energy surfaces, Related Products of pyrimidines, the publication is Physical Chemistry Chemical Physics (2000), 2(10), 2419-2424, database is CAplus.
Theor. anal. of the formation of 1-methyluracil, 3-methyluracil and 1,3-dimethyluracil dimers was performed. Stabilization energies of these dimers were evaluated with the Cornell et al. force field (J. Am. chem. Soc., 1995, 117, 5179). In total 16, 13 and 15 energy min. were studied for the 3 dimers. Thermodn. data were obtained with the rigid rotor-harmonic oscillator-ideal gas approximation Also, populations of various structures were determined by mol. dynamic simulations in the NVE microcanonical ensemble and numerical evaluation of the configuration integrals in the NVT canonical ensemble. The potential energy surfaces (PESs) and the free energy surfaces (FESs) of these dimers differ. The largest difference was found for the 1-methyluracil dimer where the global and 1st local min. on the PES and FES do not coincide.
Physical Chemistry Chemical Physics published new progress about 608-34-4. 608-34-4 belongs to pyrimidines, auxiliary class Pyrimidine,Amide, name is 3-Methylpyrimidine-2,4(1H,3H)-dione, and the molecular formula is C5H6N2O2, Related Products of pyrimidines.
Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/Pyrimidine,
Pyrimidine – Wikipedia