
 CHEMBL2086675

 52 54  0  0  0  0  0  0  0  0999 V2000
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    6.6521    4.0333   -1.1105 C   0  0  0  0  0
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    4.9980    5.0357    0.4372 C   0  0  0  0  0
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    6.5939    8.6506   -0.3282 C   0  0  0  0  0
    7.5297    8.8749   -1.3073 C   0  0  0  0  0
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    7.1033   11.1777   -1.5760 C   0  0  0  0  0
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    7.5607   12.6819   -3.5548 C   0  0  0  0  0
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    9.0935   14.3598   -2.0445 C   0  0  0  0  0
    8.5323   13.2500   -1.4332 C   0  0  0  0  0
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    2.1299   -0.3622   -0.7941 H   0  0  0  0  0
    2.4869   -1.9271   -1.5327 H   0  0  0  0  0
    3.4461   -1.1309    1.3016 H   0  0  0  0  0
    5.1727   -1.4375    1.1759 H   0  0  0  0  0
    4.0032   -2.6445    0.5916 H   0  0  0  0  0
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    3.5924    3.5998    1.2423 H   0  0  0  0  0
    6.1066    9.4547    0.2110 H   0  0  0  0  0
    8.8380    7.7717   -2.5985 H   0  0  0  0  0
    6.9483   11.3668   -0.5070 H   0  0  0  0  0
    6.1285   10.9871   -2.0439 H   0  0  0  0  0
    6.9706   12.0390   -4.1995 H   0  0  0  0  0
    8.0534   14.0801   -5.1225 H   0  0  0  0  0
    9.7155   15.0519   -1.4841 H   0  0  0  0  0
    8.7185   13.0604   -0.3812 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2086675

>  <PubChem CID>
51029603

>  <Formula>
C19H25N5O3

>  <Molecular Weight>
371.441000

>  <IUPAC Name>
tert-butyl 4-[5-(pyridin-4-ylmethoxy)pyrimidin-2-yl]piperazine-1-carboxylate

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=N2)OCC3=CC=NC=C3

>  <Isomeric SMILES>
CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=N2)OCC3=CC=NC=C3

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

>  <InChI Key>
GYLVPMDDUCFZCW-UHFFFAOYSA-N

