2-{[2-({[5-(2-Amino-2-Propanyl)-2-Furyl]Methyl}Sulfanyl)Ethyl]Amino}-5-[(6-Methyl-3-Pyridinyl)Methyl]-4(3H)-Pyrimidinone

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Properties Simple | Detailed

Formula C21H27N5O2S
IUPAC Name 2-[2-[[5-(1-amino-1-methyl-ethyl)-2-furyl]methylsulfanyl]ethylamino]-5-[(6-methyl-3-pyridyl)methyl]-1h-pyrimidin-6-one
Molecular Mass 413.536 g·mol−1
Heat of Formation -147.1 ± 16.7 kJ·mol−1
Dipole Moment 5.46 ± 1.08 D
Volume 499.68 Å 3
Surface Area 363.47 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • 2-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-5-((6-methyl-3-pyridinyl)methyl)-4(1h)-pyrimidinone
  • 2-[2-[[5-(1-amino-1-methyl-ethyl)-2-furyl]methylsulfanyl]ethylamino]-5-[(6-methyl-3-pyridyl)methyl]-3h-pyrimidin-4-one
  • 2-[2-[[5-(1-amino-1-methyl-ethyl)-2-furyl]methylthio]ethylamino]-5-[(6-methyl-3-pyridyl)methyl]-3h-pyrimidin-4-one
  • 2-[2-[[5-(1-amino-1-methylethyl)-2-furyl]methylthio]ethylamino]-5-[(6-methyl-3-pyridyl)methyl]-3h-pyrimidin-4-one
  • 2-[2-[[5-(2-aminopropan-2-yl)furan-2-yl]methylsulfanyl]ethylamino]-5-[(6-methylpyridin-3-yl)methyl]-3h-pyrimidin-4-one
  • 4(1h)-pyrimidinone, 2-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-5-((6-methyl-3-pyridinyl)methyl)-
  • lupitidine
  • lupitidinum [latin]
  • pdsp1_000048
  • pdsp2_000048
CAS Number(s)
  • 83903-06-4
InChIKey CZTPLYMKHNEVHO-UHFFFAOYSA-N
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