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

Molecule SVG Image

Properties Simple | Detailed

Formula C24H28ClN5O3
IUPAC Name 3-[(2-chlorophenyl)methyl]-1-[2-[[(1s)-2-hydroxy-1,2-dimethyl-propyl]amino]pyrimidin-4-yl]-1-(4-methoxyphenyl)urea
Molecular Mass 469.964 g·mol−1
Heat of Formation -324.7 ± 16.7 kJ·mol−1
Dipole Moment 7.13 ± 1.08 D
Volume 552.92 Å 3
Surface Area 449.72 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(2-chlorobenzyl)-1-(2-{[(1s)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea
  • 3-(2-chlorobenzyl)-1-[2-[[(1s)-2-hydroxy-1,2-dimethyl-propyl]amino]pyrimidin-4-yl]-1-(4-methoxyphenyl)urea
  • 3-[(2-chlorophenyl)methyl]-1-[2-[[(1s)-2-hydroxy-1,2-dimethyl-propyl]amino]pyrimidin-4-yl]-1-(4-methoxyphenyl)urea
  • 3-[(2-chlorophenyl)methyl]-1-[2-[[(1s)-2-hydroxy-1,2-dimethylpropyl]amino]-4-pyrimidinyl]-1-(4-methoxyphenyl)urea
  • 3-[(2-chlorophenyl)methyl]-1-[2-[[(2s)-3-hydroxy-3-methyl-butan-2-yl]amino]pyrimidin-4-yl]-1-(4-methoxyphenyl)urea
  • 3-[(2-chlorophenyl)methyl]-1-[2-[[(2s)-3-hydroxy-3-methylbutan-2-yl]amino]pyrimidin-4-yl]-1-(4-methoxyphenyl)urea
  • lic
InChIKey ZHBOBAJCKHPQBT-INIZCTEOSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C Cl O N