
 CHEMBL1921999

 60 63  0  0  0  0  0  0  0  0999 V2000
   -0.8235    7.4163    1.4680 C   0  0  0  0  0
    0.1263    7.6769    0.4398 O   0  0  0  0  0
    1.3199    7.0218    0.5670 C   0  0  0  0  0
    1.8912    6.6238    1.7739 C   0  0  0  0  0
    3.1193    5.9557    1.7773 C   0  0  0  0  0
    3.8091    5.7084    0.5855 C   0  0  0  0  0
    3.2293    6.1125   -0.6200 C   0  0  0  0  0
    1.9991    6.7766   -0.6266 C   0  0  0  0  0
    5.0138    4.9918    0.6464 N   0  0  0  0  0
    6.1562    5.1090   -0.1527 C   0  0  0  0  0
    6.5697    6.3179   -0.6502 C   0  0  0  0  0
    7.7909    6.3486   -1.2860 C   0  0  0  0  0
    8.5072    5.2335   -1.5096 N   0  0  0  0  0
    8.0280    4.0903   -1.0028 C   0  0  0  0  0
    6.8826    4.0004   -0.3174 N   0  0  0  0  0
    8.8042    2.9560   -1.1814 N   0  0  0  0  0
    8.1493    1.6564   -1.0686 C   0  0  0  0  0
    7.5275    1.2291   -2.4066 C   0  0  0  0  0
    8.5454    0.7066   -3.4192 C   0  0  0  0  0
    9.4234   -0.3850   -2.8196 C   0  0  0  0  0
   10.1410    0.1190   -1.5744 C   0  0  0  0  0
    9.1495    0.6216   -0.5300 C   0  0  0  0  0
    8.3328    7.5771   -1.7219 N   0  0  0  0  0
    8.3206    8.8009   -1.0115 C   0  0  0  0  0
    8.1977    8.8653    0.3848 C   0  0  0  0  0
    8.1785   10.0869    1.0690 C   0  0  0  0  0
    8.2840   11.2711    0.3441 C   0  0  0  0  0
    8.4471   11.2246   -1.0434 C   0  0  0  0  0
    8.4793    9.9982   -1.7138 C   0  0  0  0  0
    8.0495    9.9665    2.4228 O   0  0  0  0  0
    8.2135   11.1303    3.2121 C   0  0  0  0  0
    7.1882   11.9884    3.0252 F   0  0  0  0  0
    8.2288   10.7700    4.5150 F   0  0  0  0  0
    9.3794   11.7545    2.9391 F   0  0  0  0  0
   -1.7776    7.8537    1.1592 H   0  0  0  0  0
   -0.5308    7.8917    2.4092 H   0  0  0  0  0
   -0.9763    6.3395    1.6016 H   0  0  0  0  0
    1.4170    6.8317    2.7267 H   0  0  0  0  0
    3.5570    5.6530    2.7261 H   0  0  0  0  0
    3.7166    5.9014   -1.5682 H   0  0  0  0  0
    1.5589    7.0866   -1.5709 H   0  0  0  0  0
    4.8868    4.0141    0.8896 H   0  0  0  0  0
    5.9919    7.2186   -0.4939 H   0  0  0  0  0
    9.4471    3.1038   -1.9482 H   0  0  0  0  0
    7.3473    1.7001   -0.3210 H   0  0  0  0  0
    6.9637    2.0558   -2.8554 H   0  0  0  0  0
    6.8013    0.4300   -2.2090 H   0  0  0  0  0
    8.0175    0.3105   -4.2943 H   0  0  0  0  0
    9.1750    1.5308   -3.7742 H   0  0  0  0  0
    8.8062   -1.2553   -2.5628 H   0  0  0  0  0
   10.1572   -0.7217   -3.5601 H   0  0  0  0  0
   10.7425   -0.6904   -1.1447 H   0  0  0  0  0
   10.8355    0.9223   -1.8468 H   0  0  0  0  0
    8.5834   -0.2405   -0.1529 H   0  0  0  0  0
    9.6985    1.0316    0.3267 H   0  0  0  0  0
    9.2444    7.3835   -2.1286 H   0  0  0  0  0
    8.1256    7.9508    0.9697 H   0  0  0  0  0
    8.2491   12.2471    0.8200 H   0  0  0  0  0
    8.5428   12.1503   -1.6066 H   0  0  0  0  0
    8.5957    9.9856   -2.7947 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  5  6  2  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 40  1  0  0  0
  8 41  1  0  0  0
  9 10  1  0  0  0
  9 42  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
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 12 23  1  0  0  0
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 31 34  1  0  0  0
 31 33  1  0  0  0
 31 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1921999

>  <PubChem CID>
57399457

>  <Formula>
C24H26F3N5O2

>  <Molecular Weight>
473.500000

>  <IUPAC Name>
2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4,6-triamine

>  <XlogP>
7.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
COC1=CC=C(C=C1)NC2=CC(=NC(=N2)NC3CCCCC3)NC4=CC(=CC=C4)OC(F)(F)F

>  <Isomeric SMILES>
COC1=CC=C(C=C1)NC2=CC(=NC(=N2)NC3CCCCC3)NC4=CC(=CC=C4)OC(F)(F)F

>  <InChI Std. ID>
InChI=1S/C24H26F3N5O2/c1-33-19-12-10-17(11-13-19)28-21-15-22(32-23(31-21)30-16-6-3-2-4-7-16)29-18-8-5-9-20(14-18)34-24(25,26)27/h5,8-16H,2-4,6-7H2,1H3,(H3,28,29,30,31,32)

>  <InChI Key>
FEDUZLNTDOEBJT-UHFFFAOYSA-N

