7-{[(1,3-Dihydroxy-2-Propanyl)Amino]Methyl}-1,5-Dihydro-4H-Pyrrolo[3,2-D]Pyrimidin-4-One

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Properties Simple | Detailed

Formula C10H14N4O3
IUPAC Name 7-[(1,3-dihydroxypropan-2-ylamino)methyl]-1,5-dihydropyrrolo[2,3-e]pyrimidin-4-one
Molecular Mass 238.243 g·mol−1
Heat of Formation 850.5 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 264.22 Å 3
Surface Area 265.5 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -3.46 ± eV
Point Group Symmetry C1
Synonyms
  • 7-[(1,3-dihydroxypropan-2-ylamino)methyl]-1,5-dihydropyrrolo[2,3-e]pyrimidin-4-one
  • 7-[[(2-hydroxy-1-methylol-ethyl)amino]methyl]-1,5-dihydropyrrolo[2,3-e]pyrimidin-4-one
  • 7-[[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]methyl]-1,5-dihydropyrrolo[2,3-e]pyrimidin-4-one
InChIKey YGATXRRSBPFSBK-UHFFFAOYSA-N
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