2-(Butylamino)-4-[(Trans-4-Hydroxycyclohexyl)Amino]-N-[4-(1H-Imidazol-1-Yl)Benzyl]-5-Pyrimidinecarboxamide

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Properties Simple | Detailed

Formula C25H33N7O2
IUPAC Name 2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]-n-[[4-(4h-imidazol-3-ium-4-ylium-3-yl)phenyl]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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