N-(2,6-Diamino-4-Oxo-1,4-Dihydro-5-Pyrimidinyl)-N-(2-Hydroxyethyl)Formamide

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Properties Simple | Detailed

Formula C7H12N5O3+
IUPAC Name n-(2,6-diamino-4-oxo-pyrimidin-1-ium-3-id-5-yl)-n-(2-hydroxyethyl)formamide
Molecular Mass 214.202 g·mol−1
Heat of Formation -391.9 ± 16.7 kJ·mol−1
Dipole Moment 8.76 ± 1.08 D
Volume 232.94 Å 3
Surface Area 215.18 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • formamide, n-(2,6-diamino-1,4-dihydro-4-oxo-5-pyrimidinyl)-n-(2-hydroxyethyl)-
  • n-(2,4-diamino-6-keto-3h-pyrimidin-5-yl)-n-(2-hydroxyethyl)formamide
  • n-(2,4-diamino-6-oxo-3h-pyrimidin-5-yl)-n-(2-hydroxyethyl)formamide
  • n-(2,4-diamino-6-oxo-3h-pyrimidin-5-yl)-n-(2-hydroxyethyl)methanamide
  • ring-opened 7-(2-hydroxyethyl)guanine
  • ro-7-(2-hydroxyethyl)guanine
  • ro-7heg
CAS Number(s)
  • 131478-95-0
InChIKey KUWUYPNCVMEKRB-UHFFFAOYSA-N
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