
 CHEMBL352925

 51 54  0  0  0  0  0  0  0  0999 V2000
    0.3358   -1.5042    1.2064 C   0  0  0  0  0
    0.2448   -2.2917   -0.0862 C   0  0  0  0  0
   -1.1131   -2.3159   -0.6205 N   0  0  0  0  0
   -1.9030   -1.3261   -0.3619 C   0  0  0  0  0
   -1.5679   -0.2356    0.4127 N   0  0  0  0  0
   -0.2510   -0.1098    1.0127 C   0  0  0  0  0
    0.6642    0.8097    0.1628 C   0  0  0  0  0
    0.2046    2.2152    0.0050 N   0  0  0  0  0
    0.0402    2.9348    1.2841 C   0  0  0  0  0
    1.3212    3.0531    2.1317 C   0  0  0  0  0
    2.4912    3.5642    1.3812 N   0  0  0  0  0
    2.5831    3.1852   -0.0533 C   0  0  0  0  0
    1.2146    2.9903   -0.7564 C   0  0  0  0  0
    3.7196    3.5917    2.0881 C   0  0  0  0  0
    4.9459    3.8357    1.4413 C   0  0  0  0  0
    6.1692    3.8297    2.1265 C   0  0  0  0  0
    6.2035    3.5988    3.4945 C   0  0  0  0  0
    5.0124    3.3972    4.1760 C   0  0  0  0  0
    3.7937    3.4077    3.4835 C   0  0  0  0  0
   -3.2949   -1.3975   -0.9207 C   0  0  0  0  0
   -3.5621   -2.2110   -2.0287 C   0  0  0  0  0
   -4.8639   -2.3233   -2.5212 C   0  0  0  0  0
   -5.9046   -1.6297   -1.9050 C   0  0  0  0  0
   -5.6467   -0.8218   -0.7972 C   0  0  0  0  0
   -4.3445   -0.7044   -0.3045 C   0  0  0  0  0
   -0.2349   -2.0292    1.9842 H   0  0  0  0  0
    1.3736   -1.4504    1.5526 H   0  0  0  0  0
    0.5582   -3.3240    0.1080 H   0  0  0  0  0
    0.9283   -1.8971   -0.8456 H   0  0  0  0  0
   -1.9608    0.6561    0.1193 H   0  0  0  0  0
   -0.3694    0.3272    2.0103 H   0  0  0  0  0
    0.7430    0.3881   -0.8470 H   0  0  0  0  0
    1.6693    0.7674    0.5967 H   0  0  0  0  0
   -0.7567    2.4777    1.8806 H   0  0  0  0  0
   -0.3289    3.9467    1.0644 H   0  0  0  0  0
    1.0914    3.7368    2.9584 H   0  0  0  0  0
    1.5490    2.0672    2.5562 H   0  0  0  0  0
    3.1066    3.9718   -0.6096 H   0  0  0  0  0
    3.1640    2.2594   -0.1533 H   0  0  0  0  0
    0.7919    3.9807   -0.9742 H   0  0  0  0  0
    1.3759    2.5273   -1.7382 H   0  0  0  0  0
    4.9876    4.0428    0.3771 H   0  0  0  0  0
    7.0928    4.0097    1.5831 H   0  0  0  0  0
    7.1500    3.5881    4.0278 H   0  0  0  0  0
    5.0207    3.2305    5.2504 H   0  0  0  0  0
    2.9022    3.2531    4.0826 H   0  0  0  0  0
   -2.7574   -2.7670   -2.5039 H   0  0  0  0  0
   -5.0647   -2.9612   -3.3780 H   0  0  0  0  0
   -6.9197   -1.7280   -2.2814 H   0  0  0  0  0
   -6.4620   -0.2959   -0.3075 H   0  0  0  0  0
   -4.1667   -0.1009    0.5808 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8 13  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  1  0  0  0
 12 38  1  0  0  0
 12 39  1  0  0  0
 13 40  1  0  0  0
 13 41  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 42  1  0  0  0
 16 17  2  0  0  0
 16 43  1  0  0  0
 17 18  1  0  0  0
 17 44  1  0  0  0
 18 19  2  0  0  0
 18 45  1  0  0  0
 19 46  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 47  1  0  0  0
 22 23  2  0  0  0
 22 48  1  0  0  0
 23 24  1  0  0  0
 23 49  1  0  0  0
 24 25  2  0  0  0
 24 50  1  0  0  0
 25 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL352925

>  <PubChem CID>
44381216

>  <Formula>
C21H26N4

>  <Molecular Weight>
334.467000

>  <IUPAC Name>
(6R)-2-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN=C(NC1CN2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CN=C(N[C@H]1CN2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C21H26N4/c1-3-7-18(8-4-1)21-22-12-11-19(23-21)17-24-13-15-25(16-14-24)20-9-5-2-6-10-20/h1-10,19H,11-17H2,(H,22,23)/t19-/m1/s1

>  <InChI Key>
BJWYIHWMKMZYRS-LJQANCHMSA-N

