
 CHEMBL3701980

 38 40  0  0  0  0  0  0  0  0999 V2000
    0.8588   -0.8313    0.0386 C   0  0  0  0  0
    2.3114   -0.4871   -0.1637 C   0  0  0  0  0
    2.7312    0.8421   -0.3863 C   0  0  0  0  0
    4.1022    1.0786   -0.5394 C   0  0  0  0  0
    5.0338    0.0367   -0.4969 C   0  0  0  0  0
    4.6294   -1.2857   -0.2740 C   0  0  0  0  0
    3.2595   -1.5294   -0.1184 C   0  0  0  0  0
    5.6884   -2.3752   -0.2112 C   0  0  0  0  0
    5.2667   -3.7810    0.3044 C   0  0  0  0  0
    4.4932   -4.5795   -0.6678 N   0  0  0  0  0
    5.2199   -4.6054   -1.9475 C   0  0  0  0  0
    5.5841   -3.1987   -2.4411 C   0  0  0  0  0
    6.3729   -2.4892   -1.4761 O   0  0  0  0  0
    1.7950    1.8844   -0.3719 N   0  0  0  0  0
    1.8896    3.2335   -0.0490 C   0  0  0  0  0
    3.0359    3.7758    0.3951 N   0  0  0  0  0
    3.0113    5.0779    0.7577 C   0  0  0  0  0
    1.8888    5.8620    0.6914 C   0  0  0  0  0
    0.7676    5.2289    0.2191 C   0  0  0  0  0
    0.7404    3.9272   -0.1502 N   0  0  0  0  0
    1.8854    7.5022    1.1666 Cl  0  0  0  0  0
    0.2962   -0.6463   -0.8815 H   0  0  0  0  0
    0.4356   -0.2364    0.8541 H   0  0  0  0  0
    0.7261   -1.8849    0.3056 H   0  0  0  0  0
    4.4705    2.0849   -0.7197 H   0  0  0  0  0
    6.0887    0.2649   -0.6423 H   0  0  0  0  0
    2.9055   -2.5460    0.0418 H   0  0  0  0  0
    6.4428   -2.0139    0.5010 H   0  0  0  0  0
    4.6961   -3.6934    1.2353 H   0  0  0  0  0
    6.1780   -4.3452    0.5420 H   0  0  0  0  0
    4.3917   -5.5316   -0.3174 H   0  0  0  0  0
    6.1360   -5.1964   -1.8208 H   0  0  0  0  0
    4.6020   -5.1093   -2.6986 H   0  0  0  0  0
    6.1833   -3.2779   -3.3535 H   0  0  0  0  0
    4.6891   -2.6187   -2.6906 H   0  0  0  0  0
    0.8331    1.6495   -0.5586 H   0  0  0  0  0
    3.9580    5.4685    1.1198 H   0  0  0  0  0
   -0.1790    5.7517    0.1216 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  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  4  5  2  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 27  1  0  0  0
  8 13  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 11 33  1  0  0  0
 12 13  1  0  0  0
 12 34  1  0  0  0
 12 35  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 15 20  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 37  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3701980

>  <PubChem CID>
68325667

>  <Formula>
C15H17ClN4O

>  <Molecular Weight>
304.778000

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

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C=CC(=C1)C2CNCCO2)NC3=NC=C(C=N3)Cl

>  <Isomeric SMILES>
CC1=C(C=CC(=C1)C2CNCCO2)NC3=NC=C(C=N3)Cl

>  <InChI Std. ID>
InChI=1S/C15H17ClN4O/c1-10-6-11(14-9-17-4-5-21-14)2-3-13(10)20-15-18-7-12(16)8-19-15/h2-3,6-8,14,17H,4-5,9H2,1H3,(H,18,19,20)

>  <InChI Key>
MBUMJWNHWGAIBT-UHFFFAOYSA-N

