1,1'-{5-[(2-Amino-6-Methyl-4-Pyrimidinyl)Amino]-1,3-Phenylene}Diethanone

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Properties Simple | Detailed

Formula C15H16N4O2
IUPAC Name 1-[3-acetyl-5-[(2-amino-6-methyl-pyrimidin-4-yl)amino]phenyl]ethanone
Molecular Mass 284.313 g·mol−1
Heat of Formation -148.2 ± 16.7 kJ·mol−1
Dipole Moment 2.65 ± 1.08 D
Volume 338.98 Å 3
Surface Area 313.64 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[3-[(2-amino-6-methyl-pyrimidin-4-yl)amino]-5-ethanoyl-phenyl]ethanone
  • 1-[3-acetyl-5-[(2-amino-6-methyl-4-pyrimidinyl)amino]phenyl]ethanone
  • 1-[3-acetyl-5-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]ethanone
  • 2-amino-4-(3,5-diacetylphenyl)amino-6-methylpyrimidine
  • cni 1194
  • cni h1194
  • cni-h 1194
  • cni-h1194
  • ethanone, 1,1'-[5-[(2-amino-6-methyl-4-pyrimidinyl)amino]-1,3-phenylene]bis-
  • pyrimidine, 2-amino-4-(3,5-diacetylphenyl)amino-6-methyl-
CAS Number(s)
  • 180741-00-8
InChIKey DGKHVUISKJMDOJ-UHFFFAOYSA-N
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