1-Ethyl-3-[2-Methoxy-4-(5-Methyl-4-{[(1S)-1-(3-Pyridinyl)Butyl]Amino}-2-Pyrimidinyl)Phenyl]Urea

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Properties Simple | Detailed

Formula C24H32N6O2
IUPAC Name 1-ethyl-3-[2-methoxy-4-[5-methyl-4-[[(1s)-1-pyridin-1-ium-3-id-3-ylbutyl]amino]pyrimidine-1,3-diium-5-id-2-yl]phenyl]urea
Molecular Mass 436.550 g·mol−1
Heat of Formation -87.4 ± 16.7 kJ·mol−1
Dipole Moment 3.22 ± 1.08 D
Volume 536.83 Å 3
Surface Area 477.4 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
Synonyms
  • 3-ethyl-1-[2-methoxy-4-[5-methyl-4-[[(1s)-1-(3-pyridyl)butyl]amino]-2-pyrimidinyl]phenyl]urea
  • 3-ethyl-1-[2-methoxy-4-[5-methyl-4-[[(1s)-1-(3-pyridyl)butyl]amino]pyrimidin-2-yl]phenyl]urea
  • 3-ethyl-1-[2-methoxy-4-[5-methyl-4-[[(1s)-1-pyridin-3-ylbutyl]amino]pyrimidin-2-yl]phenyl]urea
InChIKey MTJHLONVHHPNSI-IBGZPJMESA-N
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