Formula |
C25H33N7O2 |
IUPAC Name |
2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]-n-[(4-imidazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide |
Molecular Mass |
463.575 g·mol−1 |
Heat of Formation |
-142.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.03 ± 1.08 D |
Volume |
574.87 Å 3 |
Surface Area |
450.54 Å 2 |
HOMO Energy |
-8.91 ± 0.55 eV |
LUMO Energy |
2.12 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
NPVXOWLPOFYACO-XUTJKUGGSA-N |
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Links |
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Elements |
H
C
O
N
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