2-[2-(4-Aminophenyl)-5-[(Methylsulfonyl)Amino]-6-Oxo-1(6H)-Pyrimidinyl]-N-[(3S)-1,1,1-Trifluoro-4-Methyl-2-Oxo-3-Pentanyl]Acetamide

Molecule SVG Image

Properties Simple | Detailed

Formula C19H22F3N5O5S+
IUPAC Name 2-[2-(4-aminophenyl)-5-(methanesulfonamido)-6-oxo-pyrimidin-1-ium-5-ylium-1-yl]-n-[(1s)-3,3,3-trifluoro-1-isopropyl-2-oxo-propyl]acetamide
Molecular Mass 489.469 g·mol−1
Heat of Formation -1335.1 ± 16.7 kJ·mol−1
Dipole Moment 8.04 ± 1.08 D
Volume 535.74 Å 3
Surface Area 433.69 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-(4-aminophenyl)-5-(methylsulfonylamino)-6-oxo-pyrimidin-1-yl]-n-[(3s)-1,1,1-trifluoro-4-methyl-2-oxo-pentan-3-yl]ethanamide
  • 2-[2-(4-aminophenyl)-5-methanesulfonamido-6-oxo-1-pyrimidinyl]-n-[(1s)-3,3,3-trifluoro-1-isopropyl-2-oxopropyl]acetamide
  • 2-[2-(4-aminophenyl)-5-methanesulfonamido-6-oxo-pyrimidin-1-yl]-n-[(1s)-3,3,3-trifluoro-1-isopropyl-2-oxo-propyl]acetamide
  • 2-[2-(4-aminophenyl)-6-keto-5-methanesulfonamido-pyrimidin-1-yl]-n-[(1s)-3,3,3-trifluoro-1-isopropyl-2-keto-propyl]acetamide
  • 2-[5-methanesulfonylamino-2-(4-aminophenyl)-6-oxo-1,6-dihydro-1-pyrimidinyl]-n-(3,3,3-trifluoro-1-isopropyl-2-oxopropyl)acetamide
  • tfi
InChIKey JWSWTHSJMGVOKE-HNNXBMFYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N S