
 CHEMBL1951015

 55 57  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1951015

>  <PubChem CID>
57397673

>  <Formula>
C20H27N5O3

>  <Molecular Weight>
385.468000

>  <IUPAC Name>
propan-2-yl 4-[5-methyl-6-[(2-methylpyridin-3-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(N=CN=C1OC2CCN(CC2)C(=O)OC(C)C)NC3=C(N=CC=C3)C

>  <Isomeric SMILES>
CC1=C(N=CN=C1OC2CCN(CC2)C(=O)OC(C)C)NC3=C(N=CC=C3)C

>  <InChI Std. ID>
InChI=1S/C20H27N5O3/c1-13(2)27-20(26)25-10-7-16(8-11-25)28-19-14(3)18(22-12-23-19)24-17-6-5-9-21-15(17)4/h5-6,9,12-13,16H,7-8,10-11H2,1-4H3,(H,22,23,24)

>  <InChI Key>
ATSNUQSZCLQENO-UHFFFAOYSA-N

