
 CHEMBL3701984

 42 45  0  0  0  0  0  0  0  0999 V2000
   -1.9936    2.0331    4.5480 C   0  0  0  0  0
   -2.7453    0.8551    5.0898 C   0  0  0  0  0
   -1.7070    0.6518    4.0095 C   0  0  0  0  0
   -0.4153   -0.0417    4.3334 C   0  0  0  0  0
    0.8352    0.4793    4.0580 C   0  0  0  0  0
    2.0093   -0.1451    4.3053 N   0  0  0  0  0
    1.9451   -1.3769    4.8347 C   0  0  0  0  0
    0.7881   -1.9710    5.1549 N   0  0  0  0  0
   -0.3510   -1.2973    4.9001 C   0  0  0  0  0
    3.1693   -2.0126    5.0366 N   0  0  0  0  0
    3.5102   -3.3714    5.1074 C   0  0  0  0  0
    4.8442   -3.7237    5.3563 C   0  0  0  0  0
    5.2448   -5.0645    5.4488 C   0  0  0  0  0
    4.3156   -6.0996    5.3044 C   0  0  0  0  0
    2.9735   -5.7482    5.1051 C   0  0  0  0  0
    2.5795   -4.4088    5.0189 C   0  0  0  0  0
    4.6750   -7.5764    5.3479 C   0  0  0  0  0
    6.1781   -7.9717    5.3687 C   0  0  0  0  0
    6.8397   -7.7875    6.6760 N   0  0  0  0  0
    6.0313   -8.4465    7.7144 C   0  0  0  0  0
    4.5685   -7.9841    7.6888 C   0  0  0  0  0
    3.9634   -8.2400    6.4141 O   0  0  0  0  0
   -2.5297    2.7248    3.9072 H   0  0  0  0  0
   -1.2699    2.5092    5.2006 H   0  0  0  0  0
   -3.7886    0.7441    4.8148 H   0  0  0  0  0
   -2.5244    0.5441    6.1051 H   0  0  0  0  0
   -2.0998    0.4427    3.0152 H   0  0  0  0  0
    0.9347    1.4598    3.6005 H   0  0  0  0  0
   -1.2569   -1.8314    5.1710 H   0  0  0  0  0
    3.9080   -1.3918    4.7383 H   0  0  0  0  0
    5.5962   -2.9486    5.4846 H   0  0  0  0  0
    6.2928   -5.2759    5.6449 H   0  0  0  0  0
    2.2156   -6.5252    5.0172 H   0  0  0  0  0
    1.5253   -4.2051    4.8603 H   0  0  0  0  0
    4.2719   -8.0015    4.4184 H   0  0  0  0  0
    6.7324   -7.4208    4.6008 H   0  0  0  0  0
    6.2530   -9.0365    5.1101 H   0  0  0  0  0
    7.7643   -8.2156    6.6477 H   0  0  0  0  0
    6.0725   -9.5318    7.5597 H   0  0  0  0  0
    6.4670   -8.2342    8.6959 H   0  0  0  0  0
    3.9960   -8.5422    8.4370 H   0  0  0  0  0
    4.4802   -6.9208    7.9392 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 28  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 29  1  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 31  1  0  0  0
 13 14  2  0  0  0
 13 32  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>
CHEMBL3701984

>  <PubChem CID>
68325448

>  <Formula>
C17H20N4O

>  <Molecular Weight>
296.374000

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

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C17H20N4O/c1-2-12(1)14-9-19-17(20-10-14)21-15-5-3-13(4-6-15)16-11-18-7-8-22-16/h3-6,9-10,12,16,18H,1-2,7-8,11H2,(H,19,20,21)/t16-/m0/s1

>  <InChI Key>
LTCPIUJIWPHWDB-INIZCTEOSA-N

