
 CHEMBL362224

 58 60  0  0  0  0  0  0  0  0999 V2000
    1.7774    0.3192    3.1743 C   0  0  0  0  0
    3.2589    0.5784    2.9485 C   0  0  0  0  0
    3.5997    0.5976    1.4546 C   0  0  0  0  0
    5.0408    0.9029    1.2657 N   0  0  0  0  0
    5.7908   -0.1219    0.6112 C   0  0  0  0  0
    5.5460   -1.4889    0.8547 C   0  0  0  0  0
    6.2534   -2.4988    0.1891 C   0  0  0  0  0
    7.2662   -2.1718   -0.7023 C   0  0  0  0  0
    7.5589   -0.8344   -0.9393 C   0  0  0  0  0
    6.8166    0.1701   -0.3048 C   0  0  0  0  0
    5.3084    2.3063    1.2352 C   0  0  0  0  0
    4.2975    3.1300    0.8856 N   0  0  0  0  0
    4.5417    4.4337    0.7205 C   0  0  0  0  0
    5.7565    4.9786    0.7732 N   0  0  0  0  0
    6.7697    4.1491    1.1012 C   0  0  0  0  0
    6.5716    2.8288    1.5067 C   0  0  0  0  0
    7.6290    2.0362    2.2175 C   0  0  0  0  0
    8.1521    4.6996    0.8393 C   0  0  0  0  0
    9.1494    4.0419    1.1507 O   0  0  0  0  0
    8.3844    6.0129    0.1463 C   0  0  0  0  0
    9.3469    6.9050    0.6926 C   0  0  0  0  0
    9.5993    8.1372    0.0615 C   0  0  0  0  0
    8.9288    8.5060   -1.1040 C   0  0  0  0  0
    8.0078    7.6168   -1.6559 C   0  0  0  0  0
    7.7649    6.3515   -1.0826 C   0  0  0  0  0
    6.8649    5.4374   -1.8706 C   0  0  0  0  0
    9.1743    9.8449   -1.7387 C   0  0  0  0  0
   10.1757    6.5635    1.9068 C   0  0  0  0  0
    3.3962    5.2948    0.2905 C   0  0  0  0  0
    1.5559    0.2906    4.2456 H   0  0  0  0  0
    1.4744   -0.6377    2.7383 H   0  0  0  0  0
    1.1697    1.1104    2.7232 H   0  0  0  0  0
    3.8442   -0.1990    3.4534 H   0  0  0  0  0
    3.5293    1.5325    3.4154 H   0  0  0  0  0
    2.9480    1.3045    0.9263 H   0  0  0  0  0
    3.3108   -0.3642    1.0137 H   0  0  0  0  0
    4.7959   -1.8006    1.5741 H   0  0  0  0  0
    6.0134   -3.5439    0.3796 H   0  0  0  0  0
    7.8260   -2.9531   -1.2097 H   0  0  0  0  0
    8.3586   -0.5652   -1.6220 H   0  0  0  0  0
    7.0653    1.1987   -0.5590 H   0  0  0  0  0
    7.2040    1.1874    2.7606 H   0  0  0  0  0
    8.1034    2.6562    2.9893 H   0  0  0  0  0
    8.3953    1.6666    1.5314 H   0  0  0  0  0
   10.3410    8.8173    0.4831 H   0  0  0  0  0
    7.4896    7.8940   -2.5750 H   0  0  0  0  0
    5.8165    5.7066   -1.7132 H   0  0  0  0  0
    7.0225    4.3832   -1.6274 H   0  0  0  0  0
    7.0743    5.5327   -2.9414 H   0  0  0  0  0
    9.0041    9.8007   -2.8208 H   0  0  0  0  0
   10.2091   10.1643   -1.5877 H   0  0  0  0  0
    8.5040   10.5920   -1.3069 H   0  0  0  0  0
   10.8990    5.7782    1.6596 H   0  0  0  0  0
    9.5407    6.2426    2.7381 H   0  0  0  0  0
   10.7501    7.4276    2.2542 H   0  0  0  0  0
    3.5506    6.3304    0.6046 H   0  0  0  0  0
    2.4606    4.9351    0.7275 H   0  0  0  0  0
    3.3060    5.2654   -0.8005 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4 11  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  7  8  2  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  9 10  2  0  0  0
  9 40  1  0  0  0
 10 41  1  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 29  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 18  1  0  0  0
 16 17  1  0  0  0
 17 42  1  0  0  0
 17 43  1  0  0  0
 17 44  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 25  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 21 28  1  0  0  0
 22 23  2  0  0  0
 22 45  1  0  0  0
 23 24  1  0  0  0
 23 27  1  0  0  0
 24 25  2  0  0  0
 24 46  1  0  0  0
 25 26  1  0  0  0
 26 47  1  0  0  0
 26 48  1  0  0  0
 26 49  1  0  0  0
 27 50  1  0  0  0
 27 51  1  0  0  0
 27 52  1  0  0  0
 28 53  1  0  0  0
 28 54  1  0  0  0
 28 55  1  0  0  0
 29 56  1  0  0  0
 29 57  1  0  0  0
 29 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL362224

>  <PubChem CID>
44392788

>  <Formula>
C25H29N3O

>  <Molecular Weight>
387.527000

>  <IUPAC Name>
[2,5-dimethyl-6-(N-propylanilino)pyrimidin-4-yl]-(2,4,6-trimethylphenyl)methanone

>  <XlogP>
6.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCN(C1=CC=CC=C1)C2=NC(=NC(=C2C)C(=O)C3=C(C=C(C=C3C)C)C)C

>  <Isomeric SMILES>
CCCN(C1=CC=CC=C1)C2=NC(=NC(=C2C)C(=O)C3=C(C=C(C=C3C)C)C)C

>  <InChI Std. ID>
InChI=1S/C25H29N3O/c1-7-13-28(21-11-9-8-10-12-21)25-19(5)23(26-20(6)27-25)24(29)22-17(3)14-16(2)15-18(22)4/h8-12,14-15H,7,13H2,1-6H3

>  <InChI Key>
BBHFIWCFIUBFEY-UHFFFAOYSA-N

