5-((1,2-Dihydro-2-Oxo-4-Pyridyl)Methyl)-2-((2-((5-((Dimethylamino)Methyl)Furfuryl)Thio)Ethyl)Amino)-4(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C20H25N5O3S
IUPAC Name 2-[2-[[5-[(dimethylamino)methyl]-2-furyl]methylsulfanyl]ethylamino]-5-[(2-oxo-1h-pyridin-4-yl)methyl]-1h-pyrimidin-6-one
Molecular Mass 415.509 g·mol−1
Heat of Formation -222.9 ± 16.7 kJ·mol−1
Dipole Moment 7.94 ± 1.08 D
Volume 522.47 Å 3
Surface Area 392.7 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethylamino]-5-[(2-oxo-1h-pyridin-4-yl)methyl]-3h-pyrimidin-4-one
  • 2-[2-[[5-(dimethylaminomethyl)-2-furyl]methylthio]ethylamino]-5-[(2-keto-1h-pyridin-4-yl)methyl]-3h-pyrimidin-4-one
  • 2-[2-[[5-(dimethylaminomethyl)-2-furyl]methylthio]ethylamino]-5-[(2-oxo-1h-pyridin-4-yl)methyl]-3h-pyrimidin-4-one
  • d03889
  • donetidine
  • donetidine (usan)
  • sk&f-93574
InChIKey MURUHMTVTKOWBY-UHFFFAOYSA-N
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