
 CHEMBL3641726

 35 37  0  0  0  0  0  0  0  0999 V2000
   -3.3944   -0.2146   -1.0678 C   0  0  0  0  0
   -2.8976   -1.5782   -0.5676 C   0  0  0  0  0
   -1.4661   -1.6395   -0.5141 O   0  0  0  0  0
   -0.9028   -0.5907    0.3041 C   0  0  0  0  0
   -1.4256    0.7946   -0.1728 C   0  0  0  0  0
   -2.9007    0.8972   -0.2358 N   0  0  0  0  0
   -1.0311   -0.9323    1.7833 C   0  0  0  0  0
   -0.6390   -2.2053    2.2273 C   0  0  0  0  0
   -0.6824   -2.5452    3.5862 C   0  0  0  0  0
   -1.1180   -1.6283    4.5508 C   0  0  0  0  0
   -1.5033   -0.3626    4.1042 C   0  0  0  0  0
   -1.4627   -0.0164    2.7475 C   0  0  0  0  0
   -1.0680   -1.9833    5.9022 N   0  0  0  0  0
   -1.1259   -1.2378    7.0775 C   0  0  0  0  0
   -1.1793   -1.9535    8.2139 N   0  0  0  0  0
   -1.2103   -1.2663    9.3730 C   0  0  0  0  0
   -1.1775    0.1029    9.4478 C   0  0  0  0  0
   -1.1142    0.7470    8.2403 C   0  0  0  0  0
   -1.0900    0.1049    7.0592 N   0  0  0  0  0
   -3.0621   -0.0539   -2.1005 H   0  0  0  0  0
   -4.4892   -0.1978   -1.0731 H   0  0  0  0  0
   -3.2308   -2.3618   -1.2558 H   0  0  0  0  0
   -3.3133   -1.8127    0.4190 H   0  0  0  0  0
    0.1753   -0.5997    0.0954 H   0  0  0  0  0
   -1.0321    1.6025    0.4535 H   0  0  0  0  0
   -1.0416    0.9815   -1.1843 H   0  0  0  0  0
   -3.2705    0.7675    0.7070 H   0  0  0  0  0
   -0.2805   -2.9420    1.5096 H   0  0  0  0  0
   -0.3463   -3.5352    3.8846 H   0  0  0  0  0
   -1.8512    0.3890    4.8075 H   0  0  0  0  0
   -1.7642    0.9932    2.4845 H   0  0  0  0  0
   -1.0217   -2.9658    6.1245 H   0  0  0  0  0
   -1.2622   -1.8751   10.2709 H   0  0  0  0  0
   -1.1978    0.6356   10.3865 H   0  0  0  0  0
   -1.0763    1.8304    8.1770 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6 27  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  9 10  2  0  0  0
  9 29  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 30  1  0  0  0
 12 31  1  0  0  0
 13 14  1  0  0  0
 13 32  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 33  1  0  0  0
 17 18  1  0  0  0
 17 34  1  0  0  0
 18 19  2  0  0  0
 18 35  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3641726

>  <PubChem CID>
68325733

>  <Formula>
C14H16N4O

>  <Molecular Weight>
256.309000

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

>  <XlogP>
1.300

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

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

>  <Isomeric SMILES>
C1CO[C@@H](CN1)C2=CC=C(C=C2)NC3=NC=CC=N3

>  <InChI Std. ID>
InChI=1S/C14H16N4O/c1-6-16-14(17-7-1)18-12-4-2-11(3-5-12)13-10-15-8-9-19-13/h1-7,13,15H,8-10H2,(H,16,17,18)/t13-/m0/s1

>  <InChI Key>
GRTXXEQLBRFGLV-ZDUSSCGKSA-N

