
 CHEMBL3641749

 35 37  0  0  0  0  0  0  0  0999 V2000
    1.9527   -1.3441   -0.8036 C   0  0  0  0  0
    1.3669   -0.1532   -0.0333 C   0  0  0  0  0
   -0.0489   -0.0369   -0.2312 O   0  0  0  0  0
   -0.7542   -1.2416    0.1466 C   0  0  0  0  0
   -0.1512   -2.4605   -0.6073 C   0  0  0  0  0
    1.3100   -2.6194   -0.4353 N   0  0  0  0  0
   -0.8813   -1.3235    1.6629 C   0  0  0  0  0
   -0.5990   -2.4755    2.4052 C   0  0  0  0  0
   -0.7310   -2.4862    3.8013 C   0  0  0  0  0
   -1.1604   -1.3560    4.4999 C   0  0  0  0  0
   -1.4683   -0.2114    3.7549 C   0  0  0  0  0
   -1.3321   -0.1932    2.3631 C   0  0  0  0  0
   -1.3586   -1.3178    5.8886 N   0  0  0  0  0
   -1.4528   -2.3001    6.8740 C   0  0  0  0  0
   -1.9196   -3.5701    6.6283 C   0  0  0  0  0
   -1.9678   -4.4098    7.7128 C   0  0  0  0  0
   -1.6125   -4.0764    8.9602 N   0  0  0  0  0
   -1.2012   -2.8163    9.0968 C   0  0  0  0  0
   -1.1088   -1.9071    8.1142 N   0  0  0  0  0
   -2.5208   -6.0259    7.5415 Cl  0  0  0  0  0
    1.8272   -1.1869   -1.8821 H   0  0  0  0  0
    3.0285   -1.4182   -0.6096 H   0  0  0  0  0
    1.8234    0.7746   -0.3915 H   0  0  0  0  0
    1.5854   -0.2303    1.0375 H   0  0  0  0  0
   -1.7778   -1.1182   -0.2310 H   0  0  0  0  0
   -0.6536   -3.3891   -0.3177 H   0  0  0  0  0
   -0.3411   -2.3325   -1.6810 H   0  0  0  0  0
    1.5026   -2.7886    0.5524 H   0  0  0  0  0
   -0.2642   -3.3918    1.9256 H   0  0  0  0  0
   -0.4500   -3.3937    4.3273 H   0  0  0  0  0
   -1.8319    0.6840    4.2545 H   0  0  0  0  0
   -1.5781    0.7182    1.8198 H   0  0  0  0  0
   -1.0712   -0.4424    6.3160 H   0  0  0  0  0
   -2.2619   -3.8895    5.6559 H   0  0  0  0  0
   -0.9167   -2.4939   10.0920 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 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 34  1  0  0  0
 16 17  2  0  0  0
 16 20  1  0  0  0
 17 18  1  0  0  0
 18 19  2  0  0  0
 18 35  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3641749

>  <PubChem CID>
86766844

>  <Formula>
C14H15ClN4O

>  <Molecular Weight>
290.751000

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

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C14H15ClN4O/c15-13-7-14(18-9-17-13)19-11-3-1-10(2-4-11)12-8-16-5-6-20-12/h1-4,7,9,12,16H,5-6,8H2,(H,17,18,19)/t12-/m0/s1

>  <InChI Key>
CFKXGLIQCYTCIX-LBPRGKRZSA-N

