
 SCHEMBL607510

 45 48  0  0  0  0  0  0  0  0999 V2000
    2.2473   -0.3874    0.7389 C   0  0  0  0  0
    3.3545   -0.1801   -0.1910 N   0  0  0  0  0
    3.8906   -1.4623   -0.6997 C   0  0  0  0  0
    2.9852   -2.1916   -1.7222 C   0  0  0  0  0
    2.6318   -1.3093   -2.8556 N   0  0  0  0  0
    2.0550   -0.0245   -2.3965 C   0  0  0  0  0
    2.9540    0.6694   -1.3405 C   0  0  0  0  0
    3.5910   -1.1966   -3.8783 C   0  0  0  0  0
    3.9299    0.0165   -4.3450 N   0  0  0  0  0
    4.8206    0.0842   -5.3345 C   0  0  0  0  0
    5.3686   -0.9606   -5.9493 N   0  0  0  0  0
    5.0385   -2.1803   -5.4891 C   0  0  0  0  0
    4.1361   -2.3317   -4.4497 C   0  0  0  0  0
    5.6583   -3.3518   -6.1634 C   0  0  0  0  0
    4.8368   -4.4685   -6.4480 C   0  0  0  0  0
    5.3427   -5.6253   -7.0314 C   0  0  0  0  0
    6.6869   -5.6917   -7.3689 C   0  0  0  0  0
    7.5407   -4.6070   -7.1351 C   0  0  0  0  0
    8.8911   -4.7101   -7.5103 C   0  0  0  0  0
    9.7801   -3.6601   -7.2987 C   0  0  0  0  0
    9.3306   -2.4974   -6.6940 C   0  0  0  0  0
    7.9922   -2.3858   -6.3052 C   0  0  0  0  0
    7.0463   -3.4209   -6.5240 C   0  0  0  0  0
    5.1830    1.3401   -5.7821 N   0  0  0  0  0
    1.9117    0.5715    1.1493 H   0  0  0  0  0
    2.5754   -0.9920    1.5921 H   0  0  0  0  0
    1.3831   -0.8829    0.2855 H   0  0  0  0  0
    4.1075   -2.1352    0.1391 H   0  0  0  0  0
    4.8607   -1.2568   -1.1712 H   0  0  0  0  0
    3.4671   -3.1224   -2.0375 H   0  0  0  0  0
    2.0540   -2.5024   -1.2321 H   0  0  0  0  0
    1.8437    0.6556   -3.2312 H   0  0  0  0  0
    1.0765   -0.2389   -1.9485 H   0  0  0  0  0
    3.8738    1.0198   -1.8251 H   0  0  0  0  0
    2.4533    1.5750   -0.9764 H   0  0  0  0  0
    3.8464   -3.3180   -4.1142 H   0  0  0  0  0
    3.7723   -4.4413   -6.2196 H   0  0  0  0  0
    4.6881   -6.4706   -7.2274 H   0  0  0  0  0
    7.0655   -6.6038   -7.8262 H   0  0  0  0  0
    9.2643   -5.6181   -7.9800 H   0  0  0  0  0
   10.8186   -3.7530   -7.6036 H   0  0  0  0  0
   10.0134   -1.6697   -6.5221 H   0  0  0  0  0
    7.6957   -1.4545   -5.8280 H   0  0  0  0  0
    5.4948    1.2738   -6.7409 H   0  0  0  0  0
    4.4424    1.9959   -5.5795 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  6 33  1  0  0  0
  7 34  1  0  0  0
  7 35  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 24  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 14  1  0  0  0
 13 36  1  0  0  0
 14 15  2  0  0  0
 14 23  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 16 17  2  0  0  0
 16 38  1  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 40  1  0  0  0
 20 21  2  0  0  0
 20 41  1  0  0  0
 21 22  1  0  0  0
 21 42  1  0  0  0
 22 23  2  0  0  0
 22 43  1  0  0  0
 24 44  1  0  0  0
 24 45  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL607510

>  <PubChem CID>
11255645

>  <Formula>
C19H21N5

>  <Molecular Weight>
319.412000

>  <IUPAC Name>
4-(4-methylpiperazin-1-yl)-6-naphthalen-1-ylpyrimidin-2-amine

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC4=CC=CC=C43)N

>  <Isomeric SMILES>
CN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC4=CC=CC=C43)N

>  <InChI Std. ID>
InChI=1S/C19H21N5/c1-23-9-11-24(12-10-23)18-13-17(21-19(20)22-18)16-8-4-6-14-5-2-3-7-15(14)16/h2-8,13H,9-12H2,1H3,(H2,20,21,22)

>  <InChI Key>
BISBBKKCURLAHA-UHFFFAOYSA-N

