6-Amino-2-{[2-(4-Tert-Butylphenoxy)Ethyl]Sulfanyl}Pyrimidin-4(1H)-One

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Properties Simple | Detailed

Formula C16H21N3O2S
IUPAC Name 6-amino-2-[2-(4-tert-butylphenoxy)ethylsulfanyl]-1h-pyrimidin-4-one
Molecular Mass 319.422 g·mol−1
Heat of Formation -183.0 ± 16.7 kJ·mol−1
Dipole Moment 8.30 ± 1.08 D
Volume 400.43 Å 3
Surface Area 329.5 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • 6-amino-2-[2-(4-tert-butyl-phenoxy)-ethylsulfanyl]-1h-pyrimidin-4-one
  • 6-amino-2-[2-(4-tert-butylphenoxy)ethylsulfanyl]-1h-pyrimidin-4-one
  • 6-amino-2-[2-(4-tert-butylphenoxy)ethylthio]-1h-pyrimidin-4-one
  • ag-670/40741577
  • bas 03839387
InChIKey KPBFZTGDNHCXBW-UHFFFAOYSA-N
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