2-{[4-(5-Bromo-3-Methylpyridin-2-Yl)Butyl]Amino}-5-[(6-Methylpyridin-3-Yl)Methyl]Pyrimidin-4-Ol

Molecule SVG Image

Properties Simple | Detailed

Formula C21H24BrN5O
IUPAC Name 2-[4-(5-bromo-3-methyl-2-pyridyl)butylamino]-5-[(6-methyl-3-pyridyl)methyl]pyrimidin-4-one
Molecular Mass 442.352 g·mol−1
Heat of Formation 57.5 ± 16.7 kJ·mol−1
Dipole Moment 3.85 ± 1.08 D
Volume 484.57 Å 3
Surface Area 438.64 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • 2-((4-(5-bromo-3-methyl-2-pyridyl)butyl)amino)-5-((6-methyl-3-pyridyl)methyl)-4(1h)-pyrimidinone
  • 2-[4-(5-bromo-3-methyl-2-pyridyl)butylamino]-5-[(6-methyl-3-pyridyl)methyl]-3h-pyrimidin-4-one
  • 2-[4-(5-bromo-3-methyl-pyridin-2-yl)butylamino]-5-[(6-methylpyridin-3-yl)methyl]-3h-pyrimidin-4-one
  • 2-[4-(5-bromo-3-methylpyridin-2-yl)butylamino]-5-[(6-methylpyridin-3-yl)methyl]-3h-pyrimidin-4-one
  • 4(1h)-pyrimidinone, 2-((4-(5-bromo-3-methyl-2-pyridinyl)butyl)amino)-5-((6-methyl-3-pyridinyl)methyl)-
  • d06063
  • pdsp1_000119
  • pdsp2_000119
  • sk&f 93944
  • sk&f-93944
  • temelastina [spanish]
  • temelastine
  • temelastine (usan)
  • temelastinum [latin]
CAS Number(s)
  • 86181-42-2
InChIKey OGEAASSLWZDQBM-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Br N