2,6-Dichloro-N-{2-[(2-{[(2S)-1-Hydroxy-2-Propanyl]Amino}-6-Methyl-4-Pyrimidinyl)Amino]-4-Pyridinyl}Benzamide

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Formula C20H20Cl2N6O2
IUPAC Name 2,6-dichloro-n-[2-[[2-[[(1s)-2-hydroxy-1-methyl-ethyl]amino]-6-methyl-pyrimidin-4-yl]amino]-4-pyridyl]benzamide
Molecular Mass 447.318 g·mol−1
Heat of Formation -137.0 ± 16.7 kJ·mol−1
Dipole Moment 6.25 ± 1.08 D
Volume 494.07 Å 3
Surface Area 406.46 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 1.72 ± eV
Point Group Symmetry C1
InChIKey SMUCRZPXLSRBNU-LBPRGKRZSA-N
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