2-{[4-(5-Bromo-3-Methyl-2-Pyridinyl)Butyl]Amino}-5-{[6-(Hydroxymethyl)-3-Pyridinyl]Methyl}-4(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C21H24BrN5O2
IUPAC Name 2-[4-(5-bromo-3-methyl-2-pyridyl)butylamino]-5-[[6-(hydroxymethyl)-3-pyridyl]methyl]pyrimidin-4-one
Molecular Mass 458.352 g·mol−1
Heat of Formation -144.0 ± 16.7 kJ·mol−1
Dipole Moment 6.21 ± 1.08 D
Volume 499.54 Å 3
Surface Area 356.46 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(4-(5-bromo-3-methylpyrid-2-yl)butylamino)-5-(6-hydroxymethylpyrid-3-ylmethyl)pyrimidin-4(1h)-one
  • 2-[4-(5-bromo-3-methyl-2-pyridyl)butylamino]-5-[(6-methylol-3-pyridyl)methyl]-3h-pyrimidin-4-one
  • 2-[4-(5-bromo-3-methyl-2-pyridyl)butylamino]-5-[[6-(hydroxymethyl)-3-pyridyl]methyl]-3h-pyrimidin-4-one
  • 2-[4-(5-bromo-3-methyl-pyridin-2-yl)butylamino]-5-[[6-(hydroxymethyl)pyridin-3-yl]methyl]-3h-pyrimidin-4-one
  • 2-[4-(5-bromo-3-methylpyridin-2-yl)butylamino]-5-[[6-(hydroxymethyl)pyridin-3-yl]methyl]-3h-pyrimidin-4-one
  • 4(1h)-pyrimidinone, 2-((4-(5-bromo-3-methyl-2-pyridinyl)butyl)amino)-5-((6-(hydroxymethyl)-3-pyridinyl)methyl)-
  • bmppo
CAS Number(s)
  • 86181-45-5
InChIKey SXSHYAOWPZTASF-UHFFFAOYSA-N
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