5-(5-Iodo-2-Isopropyl-4-Methoxyphenoxy)-2,4-Pyrimidinediamine

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Properties Simple | Detailed

Formula C14H17IN4O2
IUPAC Name 5-(5-iodo-2-isopropyl-4-methoxy-phenoxy)pyrimidine-2,4-diamine
Molecular Mass 400.215 g·mol−1
Heat of Formation -56.5 ± 16.7 kJ·mol−1
Dipole Moment 4.40 ± 1.08 D
Volume 372.98 Å 3
Surface Area 330.34 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy 2.77 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(5-iodo-2-isopropyl-4-methoxyphenoxy)pyrimidine-2,4-diamine
  • 5-(5-iodo-4-methoxy-2-propan-2-yl-phenoxy)pyrimidine-2,4-diamine
  • 5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
  • [2-amino-5-(5-iodo-2-isopropyl-4-methoxy-phenoxy)pyrimidin-4-yl]amine
InChIKey AATPYXMXFBBKFO-UHFFFAOYSA-N
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