The main goal of the research was determinatin of the lipophilicity (lpgP) of forty alkyl, cycloalkyl, arylalkyl and aryl derivatives of perhydropyrimidine of the following structure.

Experimental lipophilicities were determined by RP-TLC method with three different polar modifiers and were correlated with lipopholicity coefficients calculated by different algorithms. Additionaly molecular lipophilicity potential (MLP), molecular hydrophobicity index (IML), molecular electrostatic potential (MEP), polar surface (PSA) and solvent accessible surface (SAS) were calculated.

Correlation of the experimental lipophilicity logP_EXP with the S (slope) values in acetonitryl-water solvent system shows that the R₁ substituent is the one determining the lipophilicity of the whole molecule.

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