
 CHEMBL3641732

 41 43  0  0  0  0  0  0  0  0999 V2000
    7.9256    1.4531    0.1802 C   0  0  0  0  0
    7.7793   -0.0240   -0.0263 C   0  0  0  0  0
    8.8782   -0.7941   -0.3382 C   0  0  0  0  0
    8.6500   -2.1409   -0.5125 C   0  0  0  0  0
    7.4234   -2.6828   -0.3858 N   0  0  0  0  0
    6.4000   -1.8707   -0.0869 C   0  0  0  0  0
    6.5405   -0.5466    0.0943 N   0  0  0  0  0
    5.0951   -2.3454    0.0066 N   0  0  0  0  0
    4.5388   -3.6262   -0.0448 C   0  0  0  0  0
    5.2862   -4.7996    0.0691 C   0  0  0  0  0
    4.6845   -6.0583   -0.0491 C   0  0  0  0  0
    3.3111   -6.1867   -0.3057 C   0  0  0  0  0
    2.5602   -5.0135   -0.4296 C   0  0  0  0  0
    3.1666   -3.7568   -0.3003 C   0  0  0  0  0
    2.7230   -7.5828   -0.4455 C   0  0  0  0  0
    1.1838   -7.7232   -0.6149 C   0  0  0  0  0
    0.6833   -7.3473   -1.9529 N   0  0  0  0  0
    1.4599   -8.0707   -2.9722 C   0  0  0  0  0
    2.9732   -7.8875   -2.7926 C   0  0  0  0  0
    3.4026   -8.3130   -1.4910 O   0  0  0  0  0
    9.7720   -3.0648   -0.8742 C   0  0  0  0  0
    6.9677    1.9061    0.4547 H   0  0  0  0  0
    8.2778    1.9296   -0.7399 H   0  0  0  0  0
    8.6395    1.6540    0.9853 H   0  0  0  0  0
    9.8661   -0.3646   -0.4437 H   0  0  0  0  0
    4.4655   -1.5697    0.1429 H   0  0  0  0  0
    6.3542   -4.7610    0.2618 H   0  0  0  0  0
    5.3046   -6.9480    0.0417 H   0  0  0  0  0
    1.4972   -5.0482   -0.6540 H   0  0  0  0  0
    2.5499   -2.8704   -0.4277 H   0  0  0  0  0
    2.9720   -8.1039    0.4886 H   0  0  0  0  0
    0.6572   -7.1374    0.1465 H   0  0  0  0  0
    0.9160   -8.7749   -0.4469 H   0  0  0  0  0
   -0.2990   -7.6073   -2.0308 H   0  0  0  0  0
    1.2140   -9.1380   -2.9119 H   0  0  0  0  0
    1.1633   -7.7181   -3.9653 H   0  0  0  0  0
    3.5046   -8.5029   -3.5261 H   0  0  0  0  0
    3.2730   -6.8476   -2.9651 H   0  0  0  0  0
    9.4200   -4.0993   -0.9363 H   0  0  0  0  0
   10.5610   -3.0192   -0.1172 H   0  0  0  0  0
   10.1891   -2.7881   -1.8472 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  4  5  2  0  0  0
  4 21  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 27  1  0  0  0
 11 12  2  0  0  0
 11 28  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 29  1  0  0  0
 14 30  1  0  0  0
 15 20  1  0  0  0
 15 16  1  0  0  0
 15 31  1  0  0  0
 16 17  1  0  0  0
 16 32  1  0  0  0
 16 33  1  0  0  0
 17 18  1  0  0  0
 17 34  1  0  0  0
 18 19  1  0  0  0
 18 35  1  0  0  0
 18 36  1  0  0  0
 19 20  1  0  0  0
 19 37  1  0  0  0
 19 38  1  0  0  0
 21 39  1  0  0  0
 21 40  1  0  0  0
 21 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3641732

>  <PubChem CID>
68325754

>  <Formula>
C16H20N4O

>  <Molecular Weight>
284.363000

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

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC(=NC(=N1)NC2=CC=C(C=C2)C3CNCCO3)C

>  <Isomeric SMILES>
CC1=CC(=NC(=N1)NC2=CC=C(C=C2)[C@@H]3CNCCO3)C

>  <InChI Std. ID>
InChI=1S/C16H20N4O/c1-11-9-12(2)19-16(18-11)20-14-5-3-13(4-6-14)15-10-17-7-8-21-15/h3-6,9,15,17H,7-8,10H2,1-2H3,(H,18,19,20)/t15-/m0/s1

>  <InChI Key>
DEIBCWTWDNPRAD-HNNXBMFYSA-N

