3-(4-(2-(3-Chlorophenylamino)Pyrimidin-4-Yl)Pyridin-2-Ylamino)Propanol

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Properties Simple | Detailed

Formula C18H18ClN5O
IUPAC Name 3-[[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridyl]amino]propan-1-ol
Molecular Mass 355.821 g·mol−1
Heat of Formation 145.5 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 407.79 Å 3
Surface Area 353.08 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
Synonyms
  • 1-propanol, 3-[[4-[2-[(3-chlorophenyl)amino]-4-pyrimidinyl]-2-pyridinyl]amino]-
  • 1-propanol, 3-[[4-[2-[(3-chlorophenyl)amino]-4-pyrimidinyl]-2-pyridinyl]amino]- (9ci)
  • 3-[[4-[2-[(3-chlorophenyl)amino]-4-pyrimidinyl]-2-pyridyl]amino]propan-1-ol
  • 3-[[4-[2-[(3-chlorophenyl)amino]pyrimidin-4-yl]-2-pyridyl]amino]propan-1-ol
  • 3-[[4-[2-[(3-chlorophenyl)amino]pyrimidin-4-yl]pyridin-2-yl]amino]propan-1-ol
  • cgp 60474
CAS Number(s)
  • 164658-13-3
InChIKey IYNDTACKOAXKBJ-UHFFFAOYSA-N
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