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

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Properties Simple | Detailed

Formula C21H27N5O2
IUPAC Name 6-ethyl-5-[(3r)-3-(3-methoxy-5-morpholino-phenyl)but-1-ynyl]pyrimidine-2,4-diamine
Molecular Mass 381.471 g·mol−1
Heat of Formation 21.0 ± 16.7 kJ·mol−1
Dipole Moment 0.59 ± 1.08 D
Volume 470.69 Å 3
Surface Area 408.86 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy 2.96 ± eV
Point Group Symmetry C1
InChIKey DNZHKQMESCYJCG-AWEZNQCLSA-N
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