General Information of the Compound
| Compound ID |
CP0275945
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| Compound Name |
5-(2-aminopyrimidin-4-yl)-N-[(2,6-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C18H15F2N7
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| Molecular Weight |
367.363
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| Canonical SMILES |
Cc1nc(NCc2c(F)cccc2F)c2c(c[nH]c2n1)-c1ccnc(N)n1
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| InChI |
InChI=1S/C18H15F2N7/c1-9-25-16(23-7-10-12(19)3-2-4-13(10)20)15-11(8-24-17(15)26-9)14-5-6-22-18(21)27-14/h2-6,8H,7H2,1H3,(H2,21,22,27)(H2,23,24,25,26)
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| InChIKey |
HAPIHWIYVZOFQR-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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