4-[4-(2-Amino-2-Propanyl)Phenyl]-2-({4-[2-(4-Morpholinyl)Ethyl]Phenyl}Amino)-5-Pyrimidinecarbonitrile

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Properties Simple | Detailed

Formula C26H30N6O
IUPAC Name 4-[4-(1-amino-1-methyl-ethyl)phenyl]-2-[4-(2-morpholinoethyl)anilino]pyrimidine-5-carbonitrile
Molecular Mass 442.556 g·mol−1
Heat of Formation 277.8 ± 16.7 kJ·mol−1
Dipole Moment 3.17 ± 1.08 D
Volume 553.94 Å 3
Surface Area 480.28 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 1.87 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[4-(1-amino-1-methyl-ethyl)phenyl]-2-[[4-(2-morpholinoethyl)phenyl]amino]pyrimidine-5-carbonitrile
  • 4-[4-(1-amino-1-methylethyl)phenyl]-2-[[4-(2-morpholinoethyl)phenyl]amino]-5-pyrimidinecarbonitrile
  • 4-[4-(2-aminopropan-2-yl)phenyl]-2-[[4-(2-morpholin-4-ylethyl)phenyl]amino]pyrimidine-5-carbonitrile
InChIKey MROGTPNQSHMKIG-UHFFFAOYSA-N
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