
 CHEMBL492242

 38 40  0  0  0  0  0  0  0  0999 V2000
   -0.0547    0.4304   -1.3954 C   0  0  0  0  0
    0.9031   -0.4211   -0.6943 N   0  0  0  0  0
    1.0532   -1.7333   -1.3578 C   0  0  0  0  0
    1.8268   -1.7189   -2.6985 C   0  0  0  0  0
    3.1384   -1.0532   -2.5415 N   0  0  0  0  0
    3.0399    0.2845   -1.9177 C   0  0  0  0  0
    2.2351    0.2173   -0.5972 C   0  0  0  0  0
    3.9411   -1.0753   -3.6997 C   0  0  0  0  0
    4.4491    0.0694   -4.1853 N   0  0  0  0  0
    5.2267    0.0029   -5.2657 C   0  0  0  0  0
    5.5155   -1.1118   -5.9354 N   0  0  0  0  0
    5.0185   -2.2649   -5.4458 C   0  0  0  0  0
    4.2409   -2.2826   -4.3038 C   0  0  0  0  0
    5.3847   -3.4799   -6.1937 C   0  0  0  0  0
    4.5478   -4.5966   -6.2914 C   0  0  0  0  0
    4.8391   -5.7401   -6.9523 N   0  0  0  0  0
    6.0308   -5.7801   -7.5691 C   0  0  0  0  0
    6.9416   -4.7410   -7.5640 C   0  0  0  0  0
    6.6106   -3.5789   -6.8699 C   0  0  0  0  0
    6.3492   -6.9023   -8.2300 F   0  0  0  0  0
    3.3375   -4.5632   -5.7077 F   0  0  0  0  0
    5.7334    1.1880   -5.7596 N   0  0  0  0  0
   -0.1837    1.3778   -0.8601 H   0  0  0  0  0
   -1.0405   -0.0483   -1.4210 H   0  0  0  0  0
    0.2369    0.6592   -2.4254 H   0  0  0  0  0
    0.0684   -2.1931   -1.5089 H   0  0  0  0  0
    1.5840   -2.3975   -0.6620 H   0  0  0  0  0
    1.9431   -2.7617   -3.0130 H   0  0  0  0  0
    1.2357   -1.2064   -3.4679 H   0  0  0  0  0
    4.0414    0.6653   -1.6791 H   0  0  0  0  0
    2.5592    0.9955   -2.6024 H   0  0  0  0  0
    2.8220   -0.3529    0.1352 H   0  0  0  0  0
    2.1371    1.2252   -0.1759 H   0  0  0  0  0
    3.8991   -3.2133   -3.8704 H   0  0  0  0  0
    7.8847   -4.8389   -8.0880 H   0  0  0  0  0
    7.3162   -2.7484   -6.8528 H   0  0  0  0  0
    5.9062    1.1005   -6.7506 H   0  0  0  0  0
    5.1510    1.9561   -5.4573 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  6 31  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 22  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 14  1  0  0  0
 13 34  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 21  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 35  1  0  0  0
 19 36  1  0  0  0
 22 37  1  0  0  0
 22 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL492242

>  <PubChem CID>
44568832

>  <Formula>
C14H16F2N6

>  <Molecular Weight>
306.321000

>  <IUPAC Name>
4-(2,6-difluoropyridin-3-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CN1CCN(CC1)C2=NC(=NC(=C2)C3=C(N=C(C=C3)F)F)N

>  <Isomeric SMILES>
CN1CCN(CC1)C2=NC(=NC(=C2)C3=C(N=C(C=C3)F)F)N

>  <InChI Std. ID>
InChI=1S/C14H16F2N6/c1-21-4-6-22(7-5-21)12-8-10(18-14(17)20-12)9-2-3-11(15)19-13(9)16/h2-3,8H,4-7H2,1H3,(H2,17,18,20)

>  <InChI Key>
JRUZDFQRGNNPSN-UHFFFAOYSA-N

