6-Methyl-N-(5-Methyl-1H-Pyrazol-3-Yl)-2-{(2S)-2-[3-(2-Pyridinyl)-1,2-Oxazol-5-Yl]-1-Pyrrolidinyl}-4-Pyrimidinamine

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Properties Simple | Detailed

Formula C21H22N8O
IUPAC Name 6-methyl-n-(5-methylpyrazol-3-yl)-2-[(1r,2s)-2-[3-(2-pyridyl)isoxazol-1-ium-2-id-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine
Molecular Mass 402.452 g·mol−1
Heat of Formation 542.7 ± 16.7 kJ·mol−1
Dipole Moment 2.40 ± 1.08 D
Volume 472.84 Å 3
Surface Area 404.54 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy 1.36 ± eV
Point Group Symmetry C1
Synonyms
  • (5-methyl-1h-pyrazol-3-yl)-[6-methyl-2-[(2s)-2-[3-(2-pyridyl)isoxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-yl]amine
  • 6-methyl-n-(5-methyl-1h-pyrazol-3-yl)-2-[(2s)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
  • 6-methyl-n-(5-methyl-1h-pyrazol-3-yl)-2-[(2s)-2-[3-(2-pyridyl)-5-isoxazolyl]-1-pyrrolidinyl]-4-pyrimidinamine
  • 6-methyl-n-(5-methyl-1h-pyrazol-3-yl)-2-[(2s)-2-[3-(2-pyridyl)isoxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine
InChIKey KHGNDLZELXNRQC-KRWDZBQOSA-N
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