Formula |
C21H23F2N5O2 |
IUPAC Name |
(2s)-1-[4-[[6-(2,6-difluoroanilino)pyrimidin-4-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol |
Molecular Mass |
415.436 g·mol−1 |
Heat of Formation |
-360.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.88 ± 1.08 D |
Volume |
479.37 Å 3 |
Surface Area |
435.18 Å 2 |
HOMO Energy |
-8.37 ± 0.55 eV |
LUMO Energy |
-1.17 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-1-[4-({6-[(2,6-difluorophenyl)amino]pyrimidin-4-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol
- (2s)-1-[4-[[6-[(2,6-difluorophenyl)amino]-4-pyrimidinyl]amino]phenoxy]-3-dimethylaminopropan-2-ol
- (2s)-1-[4-[[6-[(2,6-difluorophenyl)amino]pyrimidin-4-yl]amino]phenoxy]-3-dimethylamino-propan-2-ol
- (2s)-1-[4-[[6-[(2,6-difluorophenyl)amino]pyrimidin-4-yl]amino]phenoxy]-3-dimethylaminopropan-2-ol
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InChIKey |
ZVSBKYYVBCKDBO-HNNXBMFYSA-N |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
F
O
N
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