Mol. No. Molecular Formula LogP By Molar Refractivity Boiling Point
(K)
Gibb’s Energy
(Kj/Mol)
Crippen’s Fragmentation Vishwanathan’s Fragmentation Broto’s Fragmentation Crippen’s Method Vishwanathan’s Method
1 C11H10N2S 3.60 3.28 2.62 60.49 60.44 603.81 430.79
2 C11H10N2S 3.60 3.28 2.62 60.49 60.44 603.81 430.79
3 C11H10N2S 4.01 3.75 2.62 - - 603.81 430.79
4 C12H12N2OS 3.47 3.03 2.75 67.74 66.90 628.14 324.58
5 C11H10N2OS 3.48 3.08 2.33 62.69 62.32 616.47 325.79
6 C12H12N2OS 3.76 3.33 2.79 67.29 67.07 628.15 334.21
7 C17H14N2S 5.25 4.85 3.89 84.73 85.10 683.70 597.45
8 C17H14N2OS 4.86 4.57 3.50 86.54 86.80 718.54 442.83
9 C18H16N2OS 5.12 4.60 4.02 91.97 91.57 707.36 491.24
10 C17H13N3O 3.54 3.51 1.57 82.61 82.34 715.69 -
11 C18H15N3O 3.72 3.61 2.49 85.17 85.28 768.36 513.67
12 C17H13N3O2 3.81 3.70 1.85 82.56 83.07 719.19 320.41
13 C13H13N3 3.13 3.08 1.98 67.69 67.35 635.65 564.91
14 C16H13N3O2 3.23 3.41 1.48 80.46 80.29 751.09 313.12
15 C17H14N2O 4.61 4.70 2.32 - - 693.90 427.51
16 C11H11N3O 2.43 2.53 0.08 - - 652.32 331.03
17 C17H14N2O2 4.22 4.41 1.93 - - 728.73 272.89
18 C17H13ClN2O 5.17 5.21 2.94 - - 712.59 405.95
19 C18H13ClN2O 5.56 5.54 3.42 - - 703.41 422.27
20 C5H7N3S 1.41 1.11 0.37 40.57 40.69 552.64 334.31
Table 2: 2-D Properties of substituted pyrimidine class of compounds.