5-[(3R)-3-(5-Methoxy-4'-Methyl-3-Biphenylyl)-1-Butyn-1-Yl]-6-Methyl-2,4-Pyrimidinediamine

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Properties Simple | Detailed

Formula C23H24N4O
IUPAC Name 5-[(3r)-3-[3-methoxy-5-(p-tolyl)phenyl]but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine
Molecular Mass 372.463 g·mol−1
Heat of Formation 239.8 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 465.41 Å 3
Surface Area 415.46 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy 2.83 ± eV
Point Group Symmetry C1
InChIKey QVXYJVHNRPNRJL-HNNXBMFYSA-N
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