
 CHEMBL3938269

 37 39  0  0  0  0  0  0  0  0999 V2000
    3.2293   -0.8503    0.6330 C   0  0  0  0  0
    4.4188   -0.7049    0.5760 C   0  0  0  0  0
    5.8811   -0.5410    0.5228 C   0  0  0  0  0
    6.1978    0.8323    0.2022 N   0  0  0  0  0
    7.5494    1.0801    0.0409 C   0  0  0  0  0
    7.8807    2.0945   -0.7510 N   0  0  0  0  0
    9.1994    2.3608   -0.8635 C   0  0  0  0  0
   10.2320    1.6521   -0.2564 C   0  0  0  0  0
    9.7756    0.5901    0.5249 C   0  0  0  0  0
    8.4485    0.3224    0.6694 N   0  0  0  0  0
   10.6052   -0.3761    1.2884 C   0  0  0  0  0
   10.1740   -0.8067    2.5623 C   0  0  0  0  0
   10.8914   -1.7457    3.3063 C   0  0  0  0  0
   12.0711   -2.2735    2.7964 C   0  0  0  0  0
   12.5199   -1.8736    1.5400 C   0  0  0  0  0
   11.7863   -0.9478    0.7874 C   0  0  0  0  0
   11.6322    2.0819   -0.4599 C   0  0  0  0  0
   12.5381    2.2118    0.6071 C   0  0  0  0  0
   13.8564    2.6211    0.3845 C   0  0  0  0  0
   14.2937    2.9466   -0.8960 C   0  0  0  0  0
   13.4100    2.8508   -1.9656 C   0  0  0  0  0
   12.0993    2.4144   -1.7494 C   0  0  0  0  0
   14.9545    2.7187    1.7061 Cl  0  0  0  0  0
    2.1722   -0.9803    0.6942 H   0  0  0  0  0
    6.2923   -1.2244   -0.2308 H   0  0  0  0  0
    6.2981   -0.8186    1.4990 H   0  0  0  0  0
    5.7149    1.2238   -0.5961 H   0  0  0  0  0
    9.4080    3.2297   -1.4853 H   0  0  0  0  0
    9.2470   -0.4132    2.9798 H   0  0  0  0  0
   10.5204   -2.0652    4.2768 H   0  0  0  0  0
   12.6337   -3.0030    3.3728 H   0  0  0  0  0
   13.4393   -2.2917    1.1376 H   0  0  0  0  0
   12.1513   -0.6895   -0.2038 H   0  0  0  0  0
   12.2255    1.9872    1.6252 H   0  0  0  0  0
   15.3159    3.2748   -1.0654 H   0  0  0  0  0
   13.7384    3.1117   -2.9692 H   0  0  0  0  0
   11.4403    2.3354   -2.6137 H   0  0  0  0  0
  1  2  3  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  8 17  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 29  1  0  0  0
 13 14  2  0  0  0
 13 30  1  0  0  0
 14 15  1  0  0  0
 14 31  1  0  0  0
 15 16  2  0  0  0
 15 32  1  0  0  0
 16 33  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 34  1  0  0  0
 19 20  2  0  0  0
 19 23  1  0  0  0
 20 21  1  0  0  0
 20 35  1  0  0  0
 21 22  2  0  0  0
 21 36  1  0  0  0
 22 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3938269

>  <PubChem CID>
134149107

>  <Formula>
C19H14ClN3

>  <Molecular Weight>
319.792000

>  <IUPAC Name>
5-(3-chlorophenyl)-4-phenyl-N-prop-2-ynylpyrimidin-2-amine

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C#CCNC1=NC=C(C(=N1)C2=CC=CC=C2)C3=CC(=CC=C3)Cl

>  <Isomeric SMILES>
C#CCNC1=NC=C(C(=N1)C2=CC=CC=C2)C3=CC(=CC=C3)Cl

>  <InChI Std. ID>
InChI=1S/C19H14ClN3/c1-2-11-21-19-22-13-17(15-9-6-10-16(20)12-15)18(23-19)14-7-4-3-5-8-14/h1,3-10,12-13H,11H2,(H,21,22,23)

>  <InChI Key>
AAQSTRPLQXKMKS-UHFFFAOYSA-N

