
 SCHEMBL604679

 41 42  0  0  0  0  0  0  0  0999 V2000
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    2.5055   -0.2556    0.0055 C   0  0  0  0  0
    2.9846   -0.8999    1.3228 C   0  0  0  0  0
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    2.7661    1.2514    0.0703 C   0  0  0  0  0
    1.7665    2.1997   -0.0383 C   0  0  0  0  0
    2.1246    3.5344    0.0636 C   0  0  0  0  0
    3.3978    3.9028    0.2681 N   0  0  0  0  0
    4.3049    2.9324    0.3660 C   0  0  0  0  0
    4.0500    1.6280    0.2542 N   0  0  0  0  0
    5.6242    3.3057    0.5318 N   0  0  0  0  0
    1.1069    4.5097   -0.0377 N   0  0  0  0  0
    0.6569    4.6730   -1.4364 C   0  0  0  0  0
   -0.4845    5.7175   -1.5197 C   0  0  0  0  0
   -0.2026    7.0276   -0.8908 N   0  0  0  0  0
    0.3107    6.8004    0.4810 C   0  0  0  0  0
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    2.3736    6.2258    0.1111 H   0  0  0  0  0
    1.7077    5.6405    1.6500 H   0  0  0  0  0
    0.9002    8.7942   -1.2212 H   0  0  0  0  0
    0.3133    8.0153   -2.6805 H   0  0  0  0  0
    1.7067    7.3346   -1.8231 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL604679

>  <PubChem CID>
24797775

>  <Formula>
C13H23N5

>  <Molecular Weight>
249.362000

>  <IUPAC Name>
4-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)(C)C1=CC(=NC(=N1)N)N2CCN(CC2)C

>  <Isomeric SMILES>
CC(C)(C)C1=CC(=NC(=N1)N)N2CCN(CC2)C

>  <InChI Std. ID>
InChI=1S/C13H23N5/c1-13(2,3)10-9-11(16-12(14)15-10)18-7-5-17(4)6-8-18/h9H,5-8H2,1-4H3,(H2,14,15,16)

>  <InChI Key>
BQCKWNHOLCQFLT-UHFFFAOYSA-N

