6-Acetyl-2-Amino-1,7,8,9-Tetrahydro-4H-Pyrimido[4,5-B][1,4]Diazepin-4-One

Molecule SVG Image

Properties Simple | Detailed

Formula C9H11N5O2
IUPAC Name 6-acetyl-2-amino-8,9-dihydro-7h-pyrimido[4,5-b][1,4]diazepin-1-ium-3-id-4-one
Molecular Mass 221.216 g·mol−1
Heat of Formation -66.6 ± 16.7 kJ·mol−1
Dipole Moment 12.58 ± 1.08 D
Volume 247.63 Å 3
Surface Area 234.58 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-4-oxo-6-acetyl-7,8-dihydro-3h,9h-pyrimidodiazepine
  • 2-amino-6-ethanoyl-1,7,8,9-tetrahydropyrimido[6,5-b][1,4]diazepin-4-one
  • 4h-pyrimido(4,5-b)(1,4)diazepin-4-one, 6-acetyl-2-amino-1,7,8,9-tetrahydro-
  • 6-acetyl-2-amino-1,7,8,9-tetrahydropyrimido[6,5-b][1,4]diazepin-4-one
  • 6-acetyldihydrohomopterin
  • 6-acetylhomopterin
  • aoadpd
  • pyrimidodiazepine
  • quench spot
CAS Number(s)
  • 80003-63-0
InChIKey XEAAIJWYCBLWNK-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N