
 CHEMBL3641745

 42 45  0  0  0  0  0  0  0  0999 V2000
    2.7667    4.1832    7.0672 C   0  0  0  0  0
    4.0569    3.7339    7.6837 C   0  0  0  0  0
    2.8418    2.8379    7.7489 C   0  0  0  0  0
    2.8373    1.5557    6.9651 C   0  0  0  0  0
    2.0500    1.3125    5.8568 C   0  0  0  0  0
    2.0200    0.1509    5.1624 N   0  0  0  0  0
    2.8228   -0.8356    5.5903 C   0  0  0  0  0
    3.6227   -0.7131    6.6570 N   0  0  0  0  0
    3.6093    0.4655    7.3126 C   0  0  0  0  0
    2.7289   -2.0340    4.8867 N   0  0  0  0  0
    3.3930   -3.2567    5.0238 C   0  0  0  0  0
    4.6112   -3.3990    5.6889 C   0  0  0  0  0
    5.1876   -4.6563    5.8682 C   0  0  0  0  0
    4.5660   -5.8247    5.4180 C   0  0  0  0  0
    3.3485   -5.6855    4.7410 C   0  0  0  0  0
    2.7745   -4.4215    4.5467 C   0  0  0  0  0
    5.2243   -7.1634    5.6870 C   0  0  0  0  0
    4.2720   -8.3348    6.0640 C   0  0  0  0  0
    3.6128   -8.9942    4.9185 N   0  0  0  0  0
    4.6349   -9.3427    3.9208 C   0  0  0  0  0
    5.4693   -8.1235    3.5091 C   0  0  0  0  0
    6.1313   -7.5289    4.6296 O   0  0  0  0  0
    6.3579   -4.7300    6.5202 F   0  0  0  0  0
    2.2143    4.9709    7.5673 H   0  0  0  0  0
    2.7209    4.2363    5.9861 H   0  0  0  0  0
    4.3818    4.2191    8.5982 H   0  0  0  0  0
    4.8698    3.4748    7.0119 H   0  0  0  0  0
    2.3498    2.7797    8.7203 H   0  0  0  0  0
    1.3812    2.0784    5.4740 H   0  0  0  0  0
    4.2676    0.5062    8.1761 H   0  0  0  0  0
    1.9910   -1.9711    4.2031 H   0  0  0  0  0
    5.1465   -2.5381    6.0762 H   0  0  0  0  0
    2.8196   -6.5574    4.3619 H   0  0  0  0  0
    1.8168   -4.3606    4.0361 H   0  0  0  0  0
    5.8619   -7.0279    6.5708 H   0  0  0  0  0
    3.5082   -7.9923    6.7711 H   0  0  0  0  0
    4.8651   -9.0999    6.5821 H   0  0  0  0  0
    3.1527   -9.8444    5.2435 H   0  0  0  0  0
    5.2928  -10.1150    4.3377 H   0  0  0  0  0
    4.1431   -9.7652    3.0391 H   0  0  0  0  0
    6.2465   -8.4381    2.8045 H   0  0  0  0  0
    4.8582   -7.3733    2.9964 H   0  0  0  0  0
  1  3  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
  3 28  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 13 14  2  0  0  0
 13 23  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 33  1  0  0  0
 16 34  1  0  0  0
 17 22  1  0  0  0
 17 18  1  0  0  0
 17 35  1  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 18 37  1  0  0  0
 19 20  1  0  0  0
 19 38  1  0  0  0
 20 21  1  0  0  0
 20 39  1  0  0  0
 20 40  1  0  0  0
 21 22  1  0  0  0
 21 41  1  0  0  0
 21 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3641745

>  <PubChem CID>
68325706

>  <Formula>
C17H19FN4O

>  <Molecular Weight>
314.364000

>  <IUPAC Name>
5-cyclopropyl-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC1C2=CN=C(N=C2)NC3=CC(=C(C=C3)C4CNCCO4)F

>  <Isomeric SMILES>
C1CC1C2=CN=C(N=C2)NC3=CC(=C(C=C3)[C@H]4CNCCO4)F

>  <InChI Std. ID>
InChI=1S/C17H19FN4O/c18-15-7-13(3-4-14(15)16-10-19-5-6-23-16)22-17-20-8-12(9-21-17)11-1-2-11/h3-4,7-9,11,16,19H,1-2,5-6,10H2,(H,20,21,22)/t16-/m1/s1

>  <InChI Key>
KMOOSEYITTVKFL-MRXNPFEDSA-N

