4-[(4-Methoxy-2-Pyrimidinyl)Amino]-2-[(3-Methyl-2-Buten-1-Yl)Oxy]Benzonitrile

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Properties Simple | Detailed

Formula C17H18N4O2
IUPAC Name 4-[(4-methoxypyrimidin-2-yl)amino]-2-(3-methylbut-2-enoxy)benzonitrile
Molecular Mass 310.350 g·mol−1
Heat of Formation 36.5 ± 16.7 kJ·mol−1
Dipole Moment 8.03 ± 1.08 D
Volume 376.09 Å 3
Surface Area 358.0 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
Synonyms
  • 2-pyrimidinamine, n-[4-cyano-3-[(3-methyl-2-butenyl)oxy]phenyl]-4-methoxy-
  • 4-[(4-methoxy-2-pyrimidinyl)amino]-2-(3-methylbut-2-enoxy)benzonitrile
InChIKey VFPQRVJYEMSZLR-UHFFFAOYSA-N
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