1,1'-Propane-1,3-Diylbis(5-Methylpyrimidine-2,4(1H,3H)-Dione)

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Properties Simple | Detailed

Formula C13H16N4O4
IUPAC Name 5-methyl-1-[3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)propyl]pyrimidine-2,4-dione
Molecular Mass 292.291 g·mol−1
Heat of Formation -690.6 ± 16.7 kJ·mol−1
Dipole Moment 7.24 ± 1.08 D
Volume 335.19 Å 3
Surface Area 310.79 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,1'-trimethylenebis(thymine)
  • 1-[3-(2,4-diketo-5-methyl-pyrimidin-1-yl)propyl]-5-methyl-pyrimidine-2,4-quinone
  • 2,4(1h,3h)-pyrimidinedione, 1,1'-(1,3-propanediyl)bis(5-methyl-
  • 2,4(1h,3h)-pyrimidinedione, 1,1'-(1,3-propanediyl)bis[5-methyl-
  • 5-methyl-1-[3-(5-methyl-2,4-dioxo-1-pyrimidinyl)propyl]pyrimidine-2,4-dione
  • 5-methyl-1-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione
CAS Number(s)
  • 22917-75-5
InChIKey BMRBWWWZFYXCDX-UHFFFAOYSA-N
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