
 CHEMBL3641750

 38 40  0  0  0  0  0  0  0  0999 V2000
   -3.2658   -0.4395   -1.1577 C   0  0  0  0  0
   -3.0363   -1.7600   -0.4103 C   0  0  0  0  0
   -1.6451   -2.1010   -0.3484 O   0  0  0  0  0
   -0.8504   -1.0604    0.2612 C   0  0  0  0  0
   -1.1068    0.2961   -0.4538 C   0  0  0  0  0
   -2.5329    0.6801   -0.5390 N   0  0  0  0  0
   -0.9767   -1.1117    1.7792 C   0  0  0  0  0
   -0.8133   -2.3458    2.4278 C   0  0  0  0  0
   -0.8758   -2.4467    3.8216 C   0  0  0  0  0
   -1.1031   -1.3195    4.6199 C   0  0  0  0  0
   -1.2635   -0.0905    3.9767 C   0  0  0  0  0
   -1.1993    0.0162    2.5791 C   0  0  0  0  0
   -1.1020   -1.4775    6.0150 N   0  0  0  0  0
   -0.9744   -0.5767    7.0724 C   0  0  0  0  0
   -1.5850   -0.9340    8.2158 N   0  0  0  0  0
   -1.4823   -0.1053    9.2859 C   0  0  0  0  0
   -0.7821    1.0543    9.2622 N   0  0  0  0  0
   -0.1636    1.3616    8.1118 C   0  0  0  0  0
   -0.2242    0.5761    6.9865 C   0  0  0  0  0
   -2.1826   -0.5022   10.5915 C   0  0  0  0  0
   -1.3116   -0.7047   11.6265 F   0  0  0  0  0
   -3.0673    0.4419   11.0352 F   0  0  0  0  0
   -2.9084   -1.6587   10.5016 F   0  0  0  0  0
   -2.9399   -0.5407   -2.2003 H   0  0  0  0  0
   -4.3345   -0.2019   -1.1735 H   0  0  0  0  0
   -3.5481   -2.5721   -0.9374 H   0  0  0  0  0
   -3.4510   -1.7174    0.6036 H   0  0  0  0  0
    0.1940   -1.3247    0.0489 H   0  0  0  0  0
   -0.5404    1.1051    0.0202 H   0  0  0  0  0
   -0.7275    0.2222   -1.4816 H   0  0  0  0  0
   -2.8921    0.7999    0.4083 H   0  0  0  0  0
   -0.6264   -3.2449    1.8416 H   0  0  0  0  0
   -0.7242   -3.4203    4.2829 H   0  0  0  0  0
   -1.4747    0.8103    4.5452 H   0  0  0  0  0
   -1.3255    1.0042    2.1447 H   0  0  0  0  0
   -1.6229   -2.2927    6.3274 H   0  0  0  0  0
    0.4104    2.2840    8.1210 H   0  0  0  0  0
    0.3241    0.8457    6.0947 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6 31  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 10  2  0  0  0
  9 33  1  0  0  0
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 14 15  2  0  0  0
 14 19  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3641750

>  <PubChem CID>
68325427

>  <Formula>
C15H15F3N4O

>  <Molecular Weight>
324.307000

>  <IUPAC Name>
N-[4-[(2R)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyrimidin-4-amine

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1COC(CN1)C2=CC=C(C=C2)NC3=NC(=NC=C3)C(F)(F)F

>  <Isomeric SMILES>
C1CO[C@@H](CN1)C2=CC=C(C=C2)NC3=NC(=NC=C3)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C15H15F3N4O/c16-15(17,18)14-20-6-5-13(22-14)21-11-3-1-10(2-4-11)12-9-19-7-8-23-12/h1-6,12,19H,7-9H2,(H,20,21,22)/t12-/m0/s1

>  <InChI Key>
JHEOKTVWUCMBJX-LBPRGKRZSA-N

