Understanding the factors that determine molecular shape enables scientists to begin to understand andtailor molecular properties and reactivity. Many biomolecules and bioactive compounds contain aliphaticheterocyclic rings whose conformations play a major role in their biological activity. The interplay of anumber of factors, both steric and electronic, is examined for 5-hydroxyhexahydropyrimidine (1) andrelated compounds with use of spectroscopy and molecular modeling.
