1-Tert-Butyl-3-[2-(Pyridin-4-Yl)Pyrimidin-4-Yl]Urea

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Properties Simple | Detailed

Formula C14H17N5O
IUPAC Name 1-tert-butyl-3-[2-(4-pyridyl)pyrimidin-4-yl]urea
Molecular Mass 271.318 g·mol−1
Heat of Formation 9.0 ± 16.7 kJ·mol−1
Dipole Moment 1.23 ± 1.08 D
Volume 331.8 Å 3
Surface Area 295.01 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy 1.79 ± eV
Point Group Symmetry C1
Synonyms
  • 1-tert-butyl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea
  • 1-tert-butyl-3-[2-(4-pyridyl)-4-pyrimidinyl]urea
  • urea, n-(1,1-dimethylethyl)-n'-(2-(4-pyridinyl)-4-pyrimidinyl)-
  • win 40882
  • win-40,882
  • win-40882
CAS Number(s)
  • 61310-12-1
InChIKey OBXXCFFJBAUAAE-UHFFFAOYSA-N
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