
 CHEMBL1951016

 52 54  0  0  0  0  0  0  0  0999 V2000
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    0.4109   -3.8707   -2.2754 C   0  0  0  0  0
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   11.2075    0.7512    1.8353 H   0  0  0  0  0
    9.3894    0.4566    0.1718 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
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  3 21  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
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  6  7  2  0  0  0
  7  8  1  0  0  0
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  9 10  1  0  0  0
  9 32  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1951016

>  <PubChem CID>
57399343

>  <Formula>
C19H25N5O3

>  <Molecular Weight>
371.441000

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

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

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

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

>  <InChI Std. ID>
InChI=1S/C19H25N5O3/c1-13(2)26-19(25)24-9-6-16(7-10-24)27-18-14(3)17(21-12-22-18)23-15-5-4-8-20-11-15/h4-5,8,11-13,16H,6-7,9-10H2,1-3H3,(H,21,22,23)

>  <InChI Key>
IXBDPGUFMYIKLN-UHFFFAOYSA-N

