Formula |
C24H27BrN6O2 |
IUPAC Name |
2-(2-bromo-n-[6-[4-[(2s)-3-(dimethylamino)-2-hydroxy-propoxy]anilino]pyrimidin-4-yl]-4-methyl-anilino)acetonitrile |
Molecular Mass |
511.414 g·mol−1 |
Heat of Formation |
138.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.62 ± 1.08 D |
Volume |
560.6 Å 3 |
Surface Area |
488.6 Å 2 |
HOMO Energy |
-8.38 ± 0.55 eV |
LUMO Energy |
-0.28 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- ((2-bromo-4-methylphenyl){6-[(4-{[(2s)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino)acetonitrile
- 2-[(2-bromo-4-methyl-phenyl)-[6-[[4-[(2s)-3-dimethylamino-2-hydroxy-propoxy]phenyl]amino]pyrimidin-4-yl]amino]acetonitrile
- 2-[(2-bromo-4-methyl-phenyl)-[6-[[4-[(2s)-3-dimethylamino-2-hydroxy-propoxy]phenyl]amino]pyrimidin-4-yl]amino]ethanenitrile
- 2-[(2-bromo-4-methylphenyl)-[6-[[4-[(2s)-3-dimethylamino-2-hydroxypropoxy]phenyl]amino]-4-pyrimidinyl]amino]acetonitrile
- 2-[(2-bromo-4-methylphenyl)-[6-[[4-[(2s)-3-dimethylamino-2-hydroxypropoxy]phenyl]amino]pyrimidin-4-yl]amino]acetonitrile
- mfq
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InChIKey |
UUISESFNPSRBFN-IBGZPJMESA-N |
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Links |
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Elements |
H
C
O
Br
N
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