5-Chloro-N~2~-[(1S)-1-(5-Fluoro-2-Pyridinyl)Ethyl]-N~4~-(3-Isopropoxy-1H-Pyrazol-5-Yl)-2,4-Pyrimidinediamine

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Properties Simple | Detailed

Formula C17H19ClFN7O
IUPAC Name 5-chloro-n2-[(1s)-1-(5-fluoro-2-pyridyl)ethyl]-n4-(3-isopropoxy-1h-pyrazol-5-yl)pyrimidine-2,4-diamine
Molecular Mass 391.830 g·mol−1
Heat of Formation 53.0 ± 16.7 kJ·mol−1
Dipole Moment 1.87 ± 1.08 D
Volume 438.69 Å 3
Surface Area 404.15 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 2.19 ± eV
Point Group Symmetry C1
Synonyms
  • 5-chloro-n-[(1s)-1-(5-fluoro-2-pyridyl)ethyl]-n'-(5-isopropoxy-2h-pyrazol-3-yl)pyrimidine-2,4-diamine
  • 5-chloro-n-[(1s)-1-(5-fluoropyridin-2-yl)ethyl]-n'-(5-propan-2-yloxy-2h-pyrazol-3-yl)pyrimidine-2,4-diamine
  • [5-chloro-4-[(5-isopropoxy-2h-pyrazol-3-yl)amino]pyrimidin-2-yl]-[(1s)-1-(5-fluoro-2-pyridyl)ethyl]amine
InChIKey LBVKEEFIPBQIMD-JTQLQIEISA-N
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