4-(3-Isopropyl-1H-Pyrazol-4-Yl)-N-(1-Methyl-4-Piperidinyl)-2-Pyrimidinamine

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Properties Simple | Detailed

Formula C16H24N6
IUPAC Name 4-(5-isopropyl-3h-pyrazol-2-ium-3-ylium-4-yl)-n-(1-methyl-4-piperidyl)pyrimidin-2-amine
Molecular Mass 300.402 g·mol−1
Heat of Formation 251.1 ± 16.7 kJ·mol−1
Dipole Moment 2.57 ± 1.08 D
Volume 382.64 Å 3
Surface Area 343.45 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry C1
InChIKey YVKZWLZGQQCODL-UHFFFAOYSA-N
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Elements H C N