4-Methyl-6-[(4-Methylphenyl)Sulfonyl]-2-Pyrimidinamine

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Properties Simple | Detailed

Formula C12H13N3O2S
IUPAC Name 4-methyl-6-(p-tolylsulfonyl)pyrimidin-2-amine
Molecular Mass 263.316 g·mol−1
Heat of Formation -137.2 ± 16.7 kJ·mol−1
Dipole Moment 5.70 ± 1.08 D
Volume 295.97 Å 3
Surface Area 275.7 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • 10x-0818
  • 4-methyl-6-(4-methylphenyl)sulfonyl-2-pyrimidinamine
  • 4-methyl-6-(4-methylphenyl)sulfonyl-pyrimidin-2-amine
  • 4-methyl-6-(4-methylphenyl)sulfonylpyrimidin-2-amine
  • [4-methyl-6-(4-methylphenyl)sulfonyl-pyrimidin-2-yl]amine
InChIKey XUOYIZBDMDPDEJ-UHFFFAOYSA-N
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