
 CHEMBL446896

 32 33  0  0  0  0  0  0  0  0999 V2000
    2.2651    0.1931   -2.2247 C   0  0  0  0  0
    2.6282    0.1461   -0.7753 C   0  0  0  0  0
    2.9161    1.3185   -0.1034 C   0  0  0  0  0
    3.2844    1.3787    1.1862 N   0  0  0  0  0
    3.3511    0.2130    1.8233 C   0  0  0  0  0
    3.0877   -0.9757    1.2777 N   0  0  0  0  0
    2.6969   -1.0152   -0.0134 C   0  0  0  0  0
    2.3942   -2.2689   -0.5922 N   0  0  0  0  0
    0.9366   -2.4543   -0.7720 C   0  0  0  0  0
    0.6572   -3.8053   -1.4778 C   0  0  0  0  0
    1.2464   -4.9975   -0.8275 N   0  0  0  0  0
    2.6819   -4.7387   -0.5622 C   0  0  0  0  0
    2.9948   -3.4010    0.1513 C   0  0  0  0  0
    0.5285   -5.3483    0.3963 C   0  0  0  0  0
    3.7884    0.2315    3.1336 N   0  0  0  0  0
    1.1904    0.3633   -2.3411 H   0  0  0  0  0
    2.5408   -0.7301   -2.7436 H   0  0  0  0  0
    2.7977    1.0062   -2.7304 H   0  0  0  0  0
    2.8715    2.2812   -0.6051 H   0  0  0  0  0
    0.5060   -1.6624   -1.3930 H   0  0  0  0  0
    0.4234   -2.4224    0.1978 H   0  0  0  0  0
   -0.4245   -3.9401   -1.5990 H   0  0  0  0  0
    1.0641   -3.7514   -2.4966 H   0  0  0  0  0
    3.1126   -5.5694    0.0104 H   0  0  0  0  0
    3.2024   -4.7443   -1.5292 H   0  0  0  0  0
    2.6150   -3.4472    1.1804 H   0  0  0  0  0
    4.0848   -3.2827    0.1954 H   0  0  0  0  0
    0.9545   -6.2544    0.8409 H   0  0  0  0  0
   -0.5183   -5.5779    0.1678 H   0  0  0  0  0
    0.5445   -4.5583    1.1534 H   0  0  0  0  0
    4.2261   -0.6541    3.3450 H   0  0  0  0  0
    4.3442    1.0631    3.2782 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 15  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8 13  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 20  1  0  0  0
  9 21  1  0  0  0
 10 11  1  0  0  0
 10 22  1  0  0  0
 10 23  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  1  0  0  0
 12 24  1  0  0  0
 12 25  1  0  0  0
 13 26  1  0  0  0
 13 27  1  0  0  0
 14 28  1  0  0  0
 14 29  1  0  0  0
 14 30  1  0  0  0
 15 31  1  0  0  0
 15 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL446896

>  <PubChem CID>
25130908

>  <Formula>
C10H17N5

>  <Molecular Weight>
207.281000

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

>  <XlogP>
0.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CN=C(N=C1N2CCN(CC2)C)N

>  <Isomeric SMILES>
CC1=CN=C(N=C1N2CCN(CC2)C)N

>  <InChI Std. ID>
InChI=1S/C10H17N5/c1-8-7-12-10(11)13-9(8)15-5-3-14(2)4-6-15/h7H,3-6H2,1-2H3,(H2,11,12,13)

>  <InChI Key>
AOQGVDIPBIEREW-UHFFFAOYSA-N

