5-Fluoro-4-[(1S)-1-(5-Fluoro-2-Pyrimidinyl)Ethoxy]-N-(5-Methyl-1H-Pyrazol-3-Yl)-6-(4-Morpholinyl)-2-Pyrimidinamine

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Properties Simple | Detailed

Formula C18H20F2N8O2
IUPAC Name 5-fluoro-4-[(1s)-1-(5-fluoropyrimidin-2-yl)ethoxy]-n-(5-methyl-4h-pyrazol-2-ium-4-id-3-yl)-6-morpholino-pyrimidin-2-amine
Molecular Mass 418.401 g·mol−1
Heat of Formation -155.3 ± 16.7 kJ·mol−1
Dipole Moment 2.49 ± 1.08 D
Volume 460.32 Å 3
Surface Area 412.59 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 1.92 ± eV
Point Group Symmetry C1
InChIKey NFYAORHLODKCQX-NSHDSACASA-N
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