4-(Benzylamino)-2-{[2-(3-Chloro-4-Hydroxyphenyl)Ethyl]Amino}-5-Pyrimidinecarboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C20H20ClN5O2
IUPAC Name 4-(benzylamino)-2-[2-(3-chloro-4-hydroxy-phenyl)ethylamino]pyrimidine-5-carboxamide
Molecular Mass 397.858 g·mol−1
Heat of Formation -126.1 ± 16.7 kJ·mol−1
Dipole Moment 3.79 ± 1.08 D
Volume 465.26 Å 3
Surface Area 366.83 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-(3-chloro-4-hydroxy-phenyl)ethylamino]-4-(phenylmethylamino)pyrimidine-5-carboxamide
  • 2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]-4-(phenylmethylamino)-5-pyrimidinecarboxamide
  • 2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]-4-(phenylmethylamino)pyrimidine-5-carboxamide
InChIKey OZRMEKAUZBKTTC-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl