General Information of the Compound
| Compound ID |
CP0069235
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| Compound Name |
5-(4-{[(3,5-difluorophenyl)methyl]amino}phenyl)-6-ethylpyrimidine-2,4-diamine
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| Structure |
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| Formula |
C19H19F2N5
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| Molecular Weight |
355.392
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| Canonical SMILES |
CCc1nc(N)nc(N)c1-c1ccc(NCc2cc(F)cc(F)c2)cc1
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| InChI |
InChI=1S/C19H19F2N5/c1-2-16-17(18(22)26-19(23)25-16)12-3-5-15(6-4-12)24-10-11-7-13(20)9-14(21)8-11/h3-9,24H,2,10H2,1H3,(H4,22,23,25,26)
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| InChIKey |
SRRWXMSVQYQCRX-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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