6-Chloro-2-{[(1S)-1-(Furo[2,3-C]Pyridin-5-Yl)Ethyl]Sulfanyl}-4-Pyrimidinamine

Molecule SVG Image

Properties Simple | Detailed

Formula C13H11ClN4OS
IUPAC Name 6-chloro-2-[(1s)-1-furo[2,3-c]pyridin-5-ylethyl]sulfanyl-pyrimidin-4-amine
Molecular Mass 306.771 g·mol−1
Heat of Formation 189.2 ± 16.7 kJ·mol−1
Dipole Moment 4.13 ± 1.08 D
Volume 329.12 Å 3
Surface Area 303.18 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • 6-chloro-2-(1-furo[2,3-c]pyridin-5-yl-ethylsulfanyl)-pyrimidin-4-ylamine
  • 6-chloro-2-(furano[3,2-d]pyridin-5-ylethylthio)pyrimidine-4-ylamine
  • 6-chloro-2-[(1s)-1-furo[3,2-d]pyridin-5-ylethyl]sulfanyl-pyrimidin-4-amine
  • 6-chloro-2-[(1s)-1-furo[3,2-d]pyridin-5-ylethyl]sulfanylpyrimidin-4-amine
  • 6-chloro-2-[[(1s)-1-(5-furo[3,2-d]pyridinyl)ethyl]thio]-4-pyrimidinamine
  • [6-chloro-2-[[(1s)-1-furo[3,2-d]pyridin-5-ylethyl]thio]pyrimidin-4-yl]amine
  • pnu 142721
  • pnu-142721
InChIKey ATCRIOJPQXDFNY-ZETCQYMHSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N S