N-Ethyl-4-[4-(3-Fluorophenyl)-3,6-Dihydro-1(2H)-Pyridinyl]-N-[4-Isopropyl-2-(Methylsulfanyl)Phenyl]-6-Methyl-2-Pyrimidinamine

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Properties Simple | Detailed

Formula C28H33FN4S
IUPAC Name n-ethyl-4-[(1s)-4-(3-fluorophenyl)-3,6-dihydro-2h-pyridin-1-yl]-n-(4-isopropyl-2-methylsulfanyl-phenyl)-6-methyl-pyrimidin-2-amine
Molecular Mass 476.652 g·mol−1
Heat of Formation 63.9 ± 16.7 kJ·mol−1
Dipole Moment 3.46 ± 1.08 D
Volume 599.35 Å 3
Surface Area 484.92 Å 2
HOMO Energy -8.07 ± 0.55 eV
LUMO Energy 2.68 ± eV
Point Group Symmetry C1
Synonyms
  • ethyl-[4-[4-(3-fluorophenyl)-3,6-dihydro-2h-pyridin-1-yl]-6-methyl-pyrimidin-2-yl]-[4-isopropyl-2-(methylthio)phenyl]amine
  • n-ethyl-4-[4-(3-fluorophenyl)-3,6-dihydro-2h-pyridin-1-yl]-6-methyl-n-(2-methylsulfanyl-4-propan-2-yl-phenyl)pyrimidin-2-amine
  • n-ethyl-4-[4-(3-fluorophenyl)-3,6-dihydro-2h-pyridin-1-yl]-6-methyl-n-(2-methylsulfanyl-4-propan-2-ylphenyl)pyrimidin-2-amine
  • n-ethyl-4-[4-(3-fluorophenyl)-3,6-dihydro-2h-pyridin-1-yl]-n-(4-isopropyl-2-methylsulfanyl-phenyl)-6-methyl-pyrimidin-2-amine
  • n-ethyl-4-[4-(3-fluorophenyl)-3,6-dihydro-2h-pyridin-1-yl]-n-[4-isopropyl-2-(methylthio)phenyl]-6-methyl-2-pyrimidinamine
  • pdsp1_001727
  • pdsp2_001710
InChIKey DDSMCPASYQDKFS-UHFFFAOYSA-N
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Elements H S N C F