6-Ethyl-5-{3-[3-Methoxy-5-(4-Pyridinyl)Phenyl]-1-Butyn-1-Yl}-2,4-Pyrimidinediamine

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Properties Simple | Detailed

Formula C22H23N5O
IUPAC Name 6-ethyl-5-[(3s)-3-[3-methoxy-5-(4-pyridyl)phenyl]but-1-ynyl]pyrimidine-2,4-diamine
Molecular Mass 373.451 g·mol−1
Heat of Formation 297.7 ± 16.7 kJ·mol−1
Dipole Moment 2.78 ± 1.08 D
Volume 463.32 Å 3
Surface Area 407.26 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
InChIKey KEPLBUUTAQCZOE-CQSZACIVSA-N
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