5-{[(4-Aminobutyl)Amino]Methyl}-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C9H16N4O2
IUPAC Name 5-[(4-aminobutylamino)methyl]-1h-pyrimidine-2,4-dione
Molecular Mass 212.249 g·mol−1
Heat of Formation -347.5 ± 16.7 kJ·mol−1
Dipole Moment 4.07 ± 1.08 D
Volume 263.11 Å 3
Surface Area 259.11 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4(1h,3h)-pyrimidinedione, 5-(((4-aminobutyl)amino)methyl)-
  • 5-(4-aminobutylaminomethyl)uracil
  • 5-[(4-aminobutylamino)methyl]-1h-pyrimidine-2,4-dione
  • 5-[(4-aminobutylamino)methyl]uracil
  • alpha-putrescinylthymine
  • putthy
CAS Number(s)
  • 40451-54-5
InChIKey IBOLVNKLOOYDDG-UHFFFAOYSA-N
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