
 CHEMBL3641748

 38 40  0  0  0  0  0  0  0  0999 V2000
   -3.6566   -1.2711   -1.2776 C   0  0  0  0  0
   -2.7681   -2.3749   -0.6884 C   0  0  0  0  0
   -1.3864   -1.9895   -0.6613 O   0  0  0  0  0
   -1.1725   -0.7594    0.0680 C   0  0  0  0  0
   -2.0966    0.3575   -0.4940 C   0  0  0  0  0
   -3.5309   -0.0039   -0.5355 N   0  0  0  0  0
   -1.1892   -1.0205    1.5691 C   0  0  0  0  0
   -0.4239   -2.0848    2.0744 C   0  0  0  0  0
   -0.3864   -2.3682    3.4441 C   0  0  0  0  0
   -1.1115   -1.5967    4.3541 C   0  0  0  0  0
   -1.8498   -0.5161    3.8590 C   0  0  0  0  0
   -1.8890   -0.2299    2.4880 C   0  0  0  0  0
   -1.1351   -1.8502    5.7370 N   0  0  0  0  0
   -0.8593   -3.0214    6.4490 C   0  0  0  0  0
   -0.3137   -2.8655    7.6654 N   0  0  0  0  0
   -0.0676   -3.9816    8.3648 C   0  0  0  0  0
   -0.3257   -5.2328    7.9674 N   0  0  0  0  0
   -0.8992   -5.3675    6.7458 C   0  0  0  0  0
   -1.1895   -4.2679    5.9561 C   0  0  0  0  0
   -1.2463   -6.7480    6.2155 C   0  0  0  0  0
   -2.5851   -6.9005    5.9973 F   0  0  0  0  0
   -0.6512   -7.0046    5.0131 F   0  0  0  0  0
   -0.8833   -7.7742    7.0343 F   0  0  0  0  0
   -3.3842   -1.0944   -2.3249 H   0  0  0  0  0
   -4.7036   -1.5909   -1.2641 H   0  0  0  0  0
   -2.8429   -3.2745   -1.3084 H   0  0  0  0  0
   -3.0942   -2.6479    0.3219 H   0  0  0  0  0
   -0.1441   -0.4540   -0.1648 H   0  0  0  0  0
   -1.9728    1.2902    0.0667 H   0  0  0  0  0
   -1.7860    0.5786   -1.5239 H   0  0  0  0  0
   -3.8486   -0.1701    0.4199 H   0  0  0  0  0
    0.1558   -2.7057    1.3917 H   0  0  0  0  0
    0.2435   -3.1867    3.7823 H   0  0  0  0  0
   -2.4226    0.1056    4.5429 H   0  0  0  0  0
   -2.4811    0.6235    2.1697 H   0  0  0  0  0
   -0.8482   -1.0488    6.2915 H   0  0  0  0  0
    0.3816   -3.8588    9.3447 H   0  0  0  0  0
   -1.6764   -4.3841    4.9950 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
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 34  1  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 37  1  0  0  0
 17 18  1  0  0  0
 18 19  2  0  0  0
 18 20  1  0  0  0
 19 38  1  0  0  0
 20 23  1  0  0  0
 20 22  1  0  0  0
 20 21  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3641748

>  <PubChem CID>
68325647

>  <Formula>
C15H15F3N4O

>  <Molecular Weight>
324.307000

>  <IUPAC Name>
N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(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)13-7-14(21-9-20-13)22-11-3-1-10(2-4-11)12-8-19-5-6-23-12/h1-4,7,9,12,19H,5-6,8H2,(H,20,21,22)/t12-/m0/s1

>  <InChI Key>
JEHYPKCRWDQPBT-LBPRGKRZSA-N

