3-Methylcytosine

Molecule SVG Image

Properties Simple | Detailed

Formula C5H7N3O
IUPAC Name 6-amino-1-methyl-pyrimidin-3-ium-2-one
Molecular Mass 125.129 g·mol−1
Heat of Formation -64.2 ± 16.7 kJ·mol−1
Dipole Moment 7.88 ± 1.08 D
Volume 145.73 Å 3
Surface Area 150.72 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry Cs
Synonyms
  • 2(1h)-pyrimidinone, 4-imino-3-methyl-
  • 2(1h)-pyrimidinone, 6-amino-1-methyl-
  • 2(1h)-pyrimidinone,4-imino-3-methyl-
  • 6-amino-1-methyl-2-pyrimidinone
  • 6-amino-1-methyl-pyrimidin-2-one
  • 6-amino-1-methylpyrimidin-2-one
CAS Number(s)
  • 4776-08-3
  • 19380-02-0
InChIKey KOLPWZCZXAMXKS-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N