
 CHEMBL451108

 39 41  0  0  0  0  0  0  0  0999 V2000
    0.0356    0.9892   -1.3299 C   0  0  0  0  0
    0.5195   -0.3167   -0.8886 N   0  0  0  0  0
    0.3832   -1.3377   -1.9553 C   0  0  0  0  0
    1.4023   -1.2353   -3.1202 C   0  0  0  0  0
    2.7771   -1.2054   -2.5816 N   0  0  0  0  0
    2.9659   -0.1129   -1.6042 C   0  0  0  0  0
    1.9355   -0.2524   -0.4576 C   0  0  0  0  0
    3.7396   -1.1969   -3.6150 C   0  0  0  0  0
    4.2480    0.0090   -3.9700 N   0  0  0  0  0
    5.1641    0.0526   -4.9336 C   0  0  0  0  0
    5.6078   -1.0026   -5.6053 N   0  0  0  0  0
    5.0995   -2.1923   -5.2255 C   0  0  0  0  0
    4.1428   -2.3897   -4.2369 C   0  0  0  0  0
    3.6799   -3.7636   -3.9025 C   0  0  0  0  0
    3.5451   -4.7517   -4.9032 C   0  0  0  0  0
    3.1541   -6.0606   -4.5983 C   0  0  0  0  0
    2.8614   -6.4127   -3.2867 C   0  0  0  0  0
    2.9724   -5.4587   -2.2794 C   0  0  0  0  0
    3.3877   -4.1596   -2.5853 C   0  0  0  0  0
    5.6519    1.2911   -5.2999 N   0  0  0  0  0
    0.1121    1.7182   -0.5150 H   0  0  0  0  0
   -1.0267    0.9313   -1.5943 H   0  0  0  0  0
    0.5789    1.3867   -2.1934 H   0  0  0  0  0
   -0.6372   -1.3253   -2.3582 H   0  0  0  0  0
    0.5026   -2.3215   -1.4823 H   0  0  0  0  0
    1.2559   -2.1001   -3.7775 H   0  0  0  0  0
    1.2021   -0.3333   -3.7125 H   0  0  0  0  0
    3.9731   -0.1696   -1.1716 H   0  0  0  0  0
    2.8534    0.8728   -2.0741 H   0  0  0  0  0
    2.1559   -1.1752    0.0949 H   0  0  0  0  0
    2.0735    0.5641    0.2623 H   0  0  0  0  0
    5.5318   -3.0310   -5.7658 H   0  0  0  0  0
    3.7447   -4.5173   -5.9452 H   0  0  0  0  0
    3.0783   -6.8013   -5.3892 H   0  0  0  0  0
    2.5516   -7.4274   -3.0475 H   0  0  0  0  0
    2.7410   -5.7249   -1.2520 H   0  0  0  0  0
    3.4860   -3.4536   -1.7632 H   0  0  0  0  0
    5.9754    1.2546   -6.2553 H   0  0  0  0  0
    4.9746    2.0026   -5.0647 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
 12 13  2  0  0  0
 12 32  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 33  1  0  0  0
 16 17  2  0  0  0
 16 34  1  0  0  0
 17 18  1  0  0  0
 17 35  1  0  0  0
 18 19  2  0  0  0
 18 36  1  0  0  0
 19 37  1  0  0  0
 20 38  1  0  0  0
 20 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL451108

>  <PubChem CID>
25129176

>  <Formula>
C15H19N5

>  <Molecular Weight>
269.352000

>  <IUPAC Name>
4-(4-methylpiperazin-1-yl)-5-phenylpyrimidin-2-amine

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1CCN(CC1)C2=NC(=NC=C2C3=CC=CC=C3)N

>  <Isomeric SMILES>
CN1CCN(CC1)C2=NC(=NC=C2C3=CC=CC=C3)N

>  <InChI Std. ID>
InChI=1S/C15H19N5/c1-19-7-9-20(10-8-19)14-13(11-17-15(16)18-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,16,17,18)

>  <InChI Key>
HVZLDGBYVPMNEA-UHFFFAOYSA-N

