[4-({4-[(5-Cyclopropyl-1H-Pyrazol-3-Yl)Amino]-5-Methyl-2-Pyrimidinyl}Amino)Phenyl]Acetonitrile

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Properties Simple | Detailed

Formula C19H19N7
IUPAC Name 2-[4-[[4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]-5-methyl-pyrimidin-2-yl]amino]phenyl]acetonitrile
Molecular Mass 345.401 g·mol−1
Heat of Formation 622.8 ± 16.7 kJ·mol−1
Dipole Moment 5.69 ± 1.08 D
Volume 417.88 Å 3
Surface Area 388.17 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy 1.50 ± eV
Point Group Symmetry C1
InChIKey IGDWIVFULVHAOF-UHFFFAOYSA-N
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Elements H C N