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

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Properties Simple | Detailed

Formula C14H14ClFN8
IUPAC Name 5-chloro-n2-[(1s)-1-(5-fluoropyrimidine-1,3-diium-5-id-2-yl)ethyl]-n4-(5-methylpyrazol-1-ium-2-id-3-yl)pyrimidine-1,3-diium-5-ide-2,4-diamine
Molecular Mass 348.766 g·mol−1
Heat of Formation 274.1 ± 16.7 kJ·mol−1
Dipole Moment 5.95 ± 1.08 D
Volume 388.68 Å 3
Surface Area 315.9 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 2.28 ± eV
Point Group Symmetry C1
Synonyms
  • 5-chloro-n-[(1s)-1-(5-fluoro-2-pyrimidinyl)ethyl]-n'-(5-methyl-1h-pyrazol-3-yl)pyrimidine-2,4-diamine
  • 5-chloro-n-[(1s)-1-(5-fluoropyrimidin-2-yl)ethyl]-n'-(5-methyl-1h-pyrazol-3-yl)pyrimidine-2,4-diamine
  • [5-chloro-4-[(5-methyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl]-[(1s)-1-(5-fluoropyrimidin-2-yl)ethyl]amine
InChIKey PDOQBOJDRPLBQU-QMMMGPOBSA-N
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Elements H N F C Cl