(3R,4S)-1-[6-(6-Methoxy-3-Pyridinyl)-4-Pyrimidinyl]-4-(2,4,5-Trifluorophenyl)-3-Pyrrolidinamine

Molecule SVG Image

Properties Simple | Detailed

Formula C20H18F3N5O
IUPAC Name (3r,4s)-1-[6-(6-methoxy-3-pyridyl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
Molecular Mass 401.385 g·mol−1
Heat of Formation -331.9 ± 16.7 kJ·mol−1
Dipole Moment 4.05 ± 1.08 D
Volume 441.07 Å 3
Surface Area 395.77 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4s)-1-[6-(6-methoxy-3-pyridyl)-4-pyrimidinyl]-4-(2,4,5-trifluorophenyl)-3-pyrrolidinamine
  • (3r,4s)-1-[6-(6-methoxy-3-pyridyl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
  • (3r,4s)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
  • [(3r,4s)-1-[6-(6-methoxy-3-pyridyl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]amine
InChIKey IFKWHPAWYJARQJ-DYVFJYSZSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C F O N