6-({4-[3-(Dimethylamino)-2-Hydroxypropoxy]Phenyl}Amino)-4-{[2-Fluoro-5-(Trifluoromethyl)Phenyl]Amino}-1,4-Dihydro-4-Pyrimidinol

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Properties Simple | Detailed

Formula C22H25F4N5O3
IUPAC Name (4r)-6-[4-[(2s)-3-(dimethylamino)-2-hydroxy-propoxy]anilino]-4-[2-fluoro-5-(trifluoromethyl)anilino]-1h-pyrimidin-4-ol
Molecular Mass 483.459 g·mol−1
Heat of Formation -1054.3 ± 16.7 kJ·mol−1
Dipole Moment 9.88 ± 1.08 D
Volume 540.09 Å 3
Surface Area 480.14 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
InChIKey NCMGCAICQSAQFF-KKSFZXQISA-N
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