4-[1-(Cyclopropylmethyl)-4-(4-Fluorophenyl)-1H-Imidazol-5-Yl]-2-Pyrimidinamine

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Properties Simple | Detailed

Formula C17H16FN5
IUPAC Name 4-[3-(cyclopropylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine
Molecular Mass 309.341 g·mol−1
Heat of Formation 266.5 ± 16.7 kJ·mol−1
Dipole Moment 5.95 ± 1.08 D
Volume 367.68 Å 3
Surface Area 316.66 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 2.39 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(fluorophenyl)-1-cyclopropylmethyl-5-(2-amino-4-pyrimidinyl)imidazole
  • 4-[3-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-imidazolyl]-2-pyrimidinamine
  • 4-[3-(cyclopropylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine
  • [4-[3-(cyclopropylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-yl]amine
  • sb 218655
  • sb5
CAS Number(s)
  • 165806-51-9
InChIKey DFEYXQGDDCDXJK-UHFFFAOYSA-N
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