
 CHEMBL3701905

 35 37  0  0  0  0  0  0  0  0999 V2000
   -3.4899   -0.7433   -0.9571 C   0  0  0  0  0
   -3.0227   -2.0388   -0.2799 C   0  0  0  0  0
   -1.5946   -2.1683   -0.3148 O   0  0  0  0  0
   -0.9303   -1.0436    0.3046 C   0  0  0  0  0
   -1.4184    0.2797   -0.3488 C   0  0  0  0  0
   -2.8883    0.4544   -0.3426 N   0  0  0  0  0
   -0.9879   -1.1611    1.8226 C   0  0  0  0  0
   -0.6562   -2.3906    2.4136 C   0  0  0  0  0
   -0.6675   -2.5590    3.8036 C   0  0  0  0  0
   -0.9803   -1.5012    4.6572 C   0  0  0  0  0
   -1.3273   -0.2778    4.0659 C   0  0  0  0  0
   -1.3189   -0.1027    2.6746 C   0  0  0  0  0
   -1.0301   -1.6104    6.0515 N   0  0  0  0  0
   -0.8250   -2.6744    6.9247 C   0  0  0  0  0
   -0.8918   -3.9519    6.5147 N   0  0  0  0  0
   -0.6846   -4.9174    7.4377 C   0  0  0  0  0
   -0.4047   -4.6585    8.7548 C   0  0  0  0  0
   -0.3621   -3.3277    9.0863 C   0  0  0  0  0
   -0.5770   -2.3266    8.2010 N   0  0  0  0  0
   -0.1289   -5.8985    9.8963 Cl  0  0  0  0  0
   -3.2235   -0.7645   -2.0204 H   0  0  0  0  0
   -4.5802   -0.6660   -0.8965 H   0  0  0  0  0
   -3.4413   -2.9013   -0.8090 H   0  0  0  0  0
   -3.3743   -2.0921    0.7572 H   0  0  0  0  0
    0.1310   -1.1452    0.0419 H   0  0  0  0  0
   -0.9473    1.1491    0.1226 H   0  0  0  0  0
   -1.0932    0.2887   -1.3977 H   0  0  0  0  0
   -3.2012    0.4941    0.6281 H   0  0  0  0  0
   -0.3884   -3.2397    1.7856 H   0  0  0  0  0
   -0.4038   -3.5365    4.1962 H   0  0  0  0  0
   -1.6086    0.5664    4.6914 H   0  0  0  0  0
   -1.5763    0.8797    2.2884 H   0  0  0  0  0
   -0.9576   -0.7464    6.5685 H   0  0  0  0  0
   -0.7534   -5.9331    7.0605 H   0  0  0  0  0
   -0.1469   -3.0037   10.1004 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  6 28  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  9 10  2  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 31  1  0  0  0
 12 32  1  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 34  1  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
M  END

>  <Chemical Name>
CHEMBL3701905

>  <PubChem CID>
68325440

>  <Formula>
C14H15ClN4O

>  <Molecular Weight>
290.751000

>  <IUPAC Name>
5-chloro-N-(4-morpholin-2-ylphenyl)pyrimidin-2-amine

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1COC(CN1)C2=CC=C(C=C2)NC3=NC=C(C=N3)Cl

>  <Isomeric SMILES>
C1COC(CN1)C2=CC=C(C=C2)NC3=NC=C(C=N3)Cl

>  <InChI Std. ID>
InChI=1S/C14H15ClN4O/c15-11-7-17-14(18-8-11)19-12-3-1-10(2-4-12)13-9-16-5-6-20-13/h1-4,7-8,13,16H,5-6,9H2,(H,17,18,19)

>  <InChI Key>
BCNVOCHGDPAXIS-UHFFFAOYSA-N

