N~4~-(1H-Indazol-4-Yl)-N~2~-[3-(Methylsulfonyl)Phenyl]-2,4-Pyrimidinediamine

Molecule SVG Image

Properties Simple | Detailed

Formula C18H16N6O2S
IUPAC Name n4-(1h-indazol-4-yl)-n2-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine
Molecular Mass 380.424 g·mol−1
Heat of Formation 210.8 ± 16.7 kJ·mol−1
Dipole Moment 5.92 ± 1.08 D
Volume 416.91 Å 3
Surface Area 379.48 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 2.17 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-indazol-4-yl-[2-[(3-mesylphenyl)amino]pyrimidin-4-yl]amine
  • n'-(1h-indazol-4-yl)-n-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine
InChIKey FIWCLCRWDUELGO-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N