
 CHEMBL493477

 33 34  0  0  0  0  0  0  0  0999 V2000
    1.0026    1.0880    0.1036 C   0  0  0  0  0
    2.4607    1.0820    0.2013 N   0  0  0  0  0
    3.0115   -0.2848    0.0485 C   0  0  0  0  0
    2.9701   -0.8706   -1.3857 C   0  0  0  0  0
    3.5836    0.0680   -2.3489 N   0  0  0  0  0
    3.0025    1.4230   -2.2734 C   0  0  0  0  0
    3.0773    1.9573   -0.8233 C   0  0  0  0  0
    3.5688   -0.4685   -3.6611 C   0  0  0  0  0
    2.6782    0.0238   -4.5516 N   0  0  0  0  0
    2.6761   -0.4856   -5.7843 C   0  0  0  0  0
    3.4643   -1.4726   -6.2062 N   0  0  0  0  0
    4.3556   -1.9392   -5.3100 C   0  0  0  0  0
    4.4740   -1.4712   -4.0183 C   0  0  0  0  0
    5.3761   -1.9261   -3.0977 O   0  0  0  0  0
    6.5882   -2.4505   -3.6278 C   0  0  0  0  0
    1.7408    0.0036   -6.6733 N   0  0  0  0  0
    0.6165    2.1044    0.2404 H   0  0  0  0  0
    0.5666    0.4800    0.9040 H   0  0  0  0  0
    0.6265    0.7087   -0.8517 H   0  0  0  0  0
    2.5045   -0.9710    0.7383 H   0  0  0  0  0
    4.0588   -0.2563    0.3777 H   0  0  0  0  0
    3.5038   -1.8278   -1.3697 H   0  0  0  0  0
    1.9301   -1.0803   -1.6685 H   0  0  0  0  0
    3.5682    2.1053   -2.9206 H   0  0  0  0  0
    1.9565    1.4304   -2.6052 H   0  0  0  0  0
    4.1340    2.0900   -0.5548 H   0  0  0  0  0
    2.6321    2.9587   -0.7770 H   0  0  0  0  0
    4.9787   -2.7393   -5.6927 H   0  0  0  0  0
    7.0245   -1.7815   -4.3780 H   0  0  0  0  0
    6.4293   -3.4515   -4.0411 H   0  0  0  0  0
    7.3030   -2.5389   -2.8041 H   0  0  0  0  0
    1.5396   -0.7006   -7.3691 H   0  0  0  0  0
    0.9585    0.3848   -6.1604 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  6 25  1  0  0  0
  7 26  1  0  0  0
  7 27  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 16  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 28  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 15 29  1  0  0  0
 15 30  1  0  0  0
 15 31  1  0  0  0
 16 32  1  0  0  0
 16 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL493477

>  <PubChem CID>
25129175

>  <Formula>
C10H17N5O

>  <Molecular Weight>
223.280000

>  <IUPAC Name>
5-methoxy-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine

>  <XlogP>
0.100

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN1CCN(CC1)C2=NC(=NC=C2OC)N

>  <Isomeric SMILES>
CN1CCN(CC1)C2=NC(=NC=C2OC)N

>  <InChI Std. ID>
InChI=1S/C10H17N5O/c1-14-3-5-15(6-4-14)9-8(16-2)7-12-10(11)13-9/h7H,3-6H2,1-2H3,(H2,11,12,13)

>  <InChI Key>
OREAPUYRKBJJQP-UHFFFAOYSA-N

