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

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Properties Simple | Detailed

Formula C21H25N5O2
IUPAC Name 2-[4-(3-methoxy-2-pyridyl)butylamino]-5-[(6-methyl-3-pyridyl)methyl]-1h-pyrimidin-6-one
Molecular Mass 379.456 g·mol−1
Heat of Formation -126.5 ± 16.7 kJ·mol−1
Dipole Moment 1.85 ± 1.08 D
Volume 470.16 Å 3
Surface Area 344.35 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • 2-((4-(3-methoxy-2-pyridyl)butyl)amino)-5-((6-methyl-3-pyridyl)methyl)-4(1h)-pyrimidinone
  • 2-[4-(3-methoxy-2-pyridyl)butylamino]-5-[(6-methyl-3-pyridyl)methyl]-3h-pyrimidin-4-one
  • 2-[4-(3-methoxypyridin-2-yl)butylamino]-5-[(6-methylpyridin-3-yl)methyl]-3h-pyrimidin-4-one
  • 4(1h)-pyrimidinone, 2-((4-(3-methoxy-2-pyridinyl)butyl)amino)-5-((6-methyl-3-pyridinyl)methyl)-
  • d04494
  • icotidine (usan)
  • sk&f 93319
CAS Number(s)
  • 71351-79-6
InChIKey GJCSPRIRQYWXRW-UHFFFAOYSA-N
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