4-(1-Isopropyl-2-Methyl-1H-Imidazol-5-Yl)-N-[4-(Methylsulfonyl)Phenyl]-2-Pyrimidinamine

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Properties Simple | Detailed

Formula C18H21N5O2S
IUPAC Name 4-(3-isopropyl-2-methyl-imidazol-3-ium-4-ylium-4-yl)-n-(4-methylsulfonylphenyl)pyrimidin-2-amine
Molecular Mass 371.457 g·mol−1
Heat of Formation -27.4 ± 16.7 kJ·mol−1
Dipole Moment 7.62 ± 1.08 D
Volume 439.29 Å 3
Surface Area 359.4 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-n-(4-methylsulfonylphenyl)pyrimidin-2-amine
  • 4-(2-methyl-3-propan-2-ylimidazol-4-yl)-n-(4-methylsulfonylphenyl)pyrimidin-2-amine
  • 4-(3-isopropyl-2-methyl-4-imidazolyl)-n-(4-methylsulfonylphenyl)-2-pyrimidinamine
  • 4-(3-isopropyl-2-methyl-imidazol-4-yl)-n-(4-methylsulfonylphenyl)pyrimidin-2-amine
  • [4-(3-isopropyl-2-methyl-imidazol-4-yl)pyrimidin-2-yl]-(4-mesylphenyl)amine
InChIKey WJRRGYBTGDJBFX-UHFFFAOYSA-N
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