1-{3-[(2-Amino-6-Methyl-4-Pyrimidinyl)Amino]Phenyl}Ethanone

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Properties Simple | Detailed

Formula C13H14N4O
IUPAC Name 1-[3-[(2-amino-6-methyl-pyrimidin-4-yl)amino]phenyl]ethanone
Molecular Mass 242.276 g·mol−1
Heat of Formation 35.1 ± 16.7 kJ·mol−1
Dipole Moment 2.18 ± 1.08 D
Volume 289.52 Å 3
Surface Area 277.27 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[3-(2-amino-6-methyl-pyrimidin-4-ylamino)-phenyl]-ethanone
  • 1-[3-[(2-amino-6-methyl-4-pyrimidinyl)amino]phenyl]ethanone
  • 1-[3-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]ethanone
  • 2-amino-4-(3-acetylphenyl)amino-6-methylpyrimidine
  • 2-pyrimidinamine, 4-(3-acetylphenyl)amino-
  • 4-(3-acetylphenyl)amino-2-amino-6-methylpyrimidine
  • cni 1594
  • cni h1594
  • cni-h 1594
  • cni-h1594
  • pyrimidine, 2-amino-4-(3-acetylphenyl)amino-6-methyl-
CAS Number(s)
  • 180741-03-1
InChIKey ADTBYKSPVPWUCT-UHFFFAOYSA-N
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