
 CHEMBL505346

 37 39  0  0  0  0  0  0  0  0999 V2000
   -0.6001   -0.9408   -1.9704 C   0  0  0  0  0
    0.3128   -1.8304   -1.2561 N   0  0  0  0  0
    0.6742   -3.0095   -2.0690 C   0  0  0  0  0
    1.6233   -2.7331   -3.2603 C   0  0  0  0  0
    2.8331   -2.0060   -2.8197 N   0  0  0  0  0
    2.5313   -0.8017   -2.0118 C   0  0  0  0  0
    1.5563   -1.1337   -0.8573 C   0  0  0  0  0
    3.7740   -1.7628   -3.8418 C   0  0  0  0  0
    4.2365   -0.5167   -4.0377 N   0  0  0  0  0
    5.1472   -0.3229   -4.9906 C   0  0  0  0  0
    5.6146   -1.2679   -5.8035 N   0  0  0  0  0
    5.1632   -2.5211   -5.6077 C   0  0  0  0  0
    4.2491   -2.8100   -4.6112 C   0  0  0  0  0
    5.7019   -3.5351   -6.5204 C   0  0  0  0  0
    5.0148   -4.6753   -6.9075 C   0  0  0  0  0
    5.4904   -5.6194   -7.7510 N   0  0  0  0  0
    6.7199   -5.3962   -8.2349 C   0  0  0  0  0
    7.4906   -4.3378   -7.9543 N   0  0  0  0  0
    6.9547   -3.4306   -7.1040 C   0  0  0  0  0
    5.6000    0.9647   -5.1884 N   0  0  0  0  0
   -0.8860   -0.0973   -1.3324 H   0  0  0  0  0
   -1.5267   -1.4697   -2.2202 H   0  0  0  0  0
   -0.1809   -0.5378   -2.8977 H   0  0  0  0  0
   -0.2334   -3.5068   -2.4328 H   0  0  0  0  0
    1.1602   -3.7354   -1.4031 H   0  0  0  0  0
    1.8819   -3.7050   -3.6947 H   0  0  0  0  0
    1.0983   -2.1556   -4.0317 H   0  0  0  0  0
    3.4528   -0.4063   -1.5656 H   0  0  0  0  0
    2.0925   -0.0161   -2.6407 H   0  0  0  0  0
    2.0798   -1.7759   -0.1364 H   0  0  0  0  0
    1.3109   -0.2153   -0.3096 H   0  0  0  0  0
    3.9392   -3.8263   -4.4109 H   0  0  0  0  0
    4.0067   -4.8787   -6.5562 H   0  0  0  0  0
    7.1256   -6.1368   -8.9151 H   0  0  0  0  0
    7.5996   -2.5793   -6.8940 H   0  0  0  0  0
    5.9129    1.0779   -6.1421 H   0  0  0  0  0
    4.9165    1.6239   -4.8433 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 20  1  0  0  0
 11 12  1  0  0  0
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 12 14  1  0  0  0
 13 32  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 33  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
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 18 19  2  0  0  0
 19 35  1  0  0  0
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 20 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL505346

>  <PubChem CID>
25130229

>  <Formula>
C13H17N7

>  <Molecular Weight>
271.328000

>  <IUPAC Name>
4-(4-methylpiperazin-1-yl)-6-pyrimidin-5-ylpyrimidin-2-amine

>  <XlogP>
0.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CN1CCN(CC1)C2=NC(=NC(=C2)C3=CN=CN=C3)N

>  <Isomeric SMILES>
CN1CCN(CC1)C2=NC(=NC(=C2)C3=CN=CN=C3)N

>  <InChI Std. ID>
InChI=1S/C13H17N7/c1-19-2-4-20(5-3-19)12-6-11(17-13(14)18-12)10-7-15-9-16-8-10/h6-9H,2-5H2,1H3,(H2,14,17,18)

>  <InChI Key>
PAQJDMHAEFDKPF-UHFFFAOYSA-N

