3-(2-Chlorophenyl)-1-(2-{[(2S)-3-Hydroxy-3-Methyl-2-Butanyl]Amino}-4-Pyrimidinyl)-1-(4-Methoxyphenyl)Urea

Molecule SVG Image

Properties Simple | Detailed

Formula C23H26ClN5O3
IUPAC Name 3-(2-chlorophenyl)-1-[2-[[(1s)-2-hydroxy-1,2-dimethyl-propyl]amino]pyrimidin-4-yl]-1-(4-methoxyphenyl)urea
Molecular Mass 455.937 g·mol−1
Heat of Formation -288.4 ± 16.7 kJ·mol−1
Dipole Moment 2.46 ± 1.08 D
Volume 530.92 Å 3
Surface Area 442.12 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 2.68 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(2-chlorophenyl)-1-(2-{[(1s)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea
  • 3-(2-chlorophenyl)-1-[2-[[(1s)-2-hydroxy-1,2-dimethyl-propyl]amino]pyrimidin-4-yl]-1-(4-methoxyphenyl)urea
  • 3-(2-chlorophenyl)-1-[2-[[(1s)-2-hydroxy-1,2-dimethylpropyl]amino]-4-pyrimidinyl]-1-(4-methoxyphenyl)urea
  • 3-(2-chlorophenyl)-1-[2-[[(2s)-3-hydroxy-3-methyl-butan-2-yl]amino]pyrimidin-4-yl]-1-(4-methoxyphenyl)urea
  • 3-(2-chlorophenyl)-1-[2-[[(2s)-3-hydroxy-3-methylbutan-2-yl]amino]pyrimidin-4-yl]-1-(4-methoxyphenyl)urea
  • lib
InChIKey ZWYFTKPEHRQCCW-HNNXBMFYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C Cl O N