6-Ethyl-5-[3-(5-Methoxy-3-Biphenylyl)-1-Propyn-1-Yl]-2,4-Pyrimidinediamine

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Properties Simple | Detailed

Formula C22H22N4O
IUPAC Name 6-ethyl-5-[3-(3-methoxy-5-phenyl-phenyl)prop-1-ynyl]pyrimidine-2,4-diamine
Molecular Mass 358.436 g·mol−1
Heat of Formation 285.5 ± 16.7 kJ·mol−1
Dipole Moment 1.15 ± 1.08 D
Volume 448.19 Å 3
Surface Area 394.26 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy 2.76 ± eV
Point Group Symmetry C1
InChIKey QKLZHVMWTSBUFL-UHFFFAOYSA-N
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