
 CHEMBL3236564

 46 49  0  0  0  0  0  0  0  0999 V2000
    2.2884   -2.2778    1.1247 C   0  0  0  0  0
    1.2642   -2.9428    0.2225 C   0  0  0  0  0
    0.6535   -1.8120   -0.6071 C   0  0  0  0  0
    1.0275   -0.4943    0.1009 C   0  0  0  0  0
    1.6581   -0.9278    1.4302 C   0  0  0  0  0
    1.9740    0.3899   -0.6901 C   0  0  0  0  0
    1.9190    1.7635   -0.5312 C   0  0  0  0  0
    2.8323    2.5368   -1.2233 C   0  0  0  0  0
    3.7179    1.9525   -2.0496 N   0  0  0  0  0
    3.6998    0.6232   -2.1576 C   0  0  0  0  0
    2.8896   -0.1917   -1.4848 N   0  0  0  0  0
    4.6420    0.0385   -2.9822 N   0  0  0  0  0
    2.8479    3.9114   -1.1059 N   0  0  0  0  0
    2.3313    4.6056    0.0729 C   0  0  0  0  0
    2.8899    6.0218   -0.0607 C   0  0  0  0  0
    4.2596    5.7919   -0.7030 C   0  0  0  0  0
    3.9215    4.6870   -1.7413 C   0  0  0  0  0
    4.8781    7.0469   -1.3214 C   0  0  0  0  0
    6.1061    7.3266   -0.4694 C   0  0  0  0  0
    6.5018    5.9519    0.0228 C   0  0  0  0  0
    5.2139    5.3427    0.3418 N   0  0  0  0  0
    2.4802   -2.8591    2.0311 H   0  0  0  0  0
    3.2391   -2.1493    0.5957 H   0  0  0  0  0
    0.4821   -3.4143    0.8305 H   0  0  0  0  0
    1.7096   -3.7207   -0.4040 H   0  0  0  0  0
    0.9997   -1.8589   -1.6457 H   0  0  0  0  0
   -0.4364   -1.9327   -0.6381 H   0  0  0  0  0
    0.1097    0.0763    0.2907 H   0  0  0  0  0
    2.3867   -0.2158    1.8316 H   0  0  0  0  0
    0.8699   -1.0593    2.1826 H   0  0  0  0  0
    1.1797    2.2088    0.1205 H   0  0  0  0  0
    4.8237   -0.9005   -2.6582 H   0  0  0  0  0
    5.4316    0.6609   -3.0732 H   0  0  0  0  0
    2.6968    4.1392    0.9960 H   0  0  0  0  0
    1.2365    4.6207    0.0897 H   0  0  0  0  0
    2.9332    6.5401    0.9033 H   0  0  0  0  0
    2.2473    6.6115   -0.7270 H   0  0  0  0  0
    3.5344    5.1252   -2.6697 H   0  0  0  0  0
    4.8193    4.1071   -1.9870 H   0  0  0  0  0
    4.2046    7.9100   -1.3269 H   0  0  0  0  0
    5.1982    6.8586   -2.3533 H   0  0  0  0  0
    6.9025    7.8148   -1.0380 H   0  0  0  0  0
    5.8389    7.9755    0.3741 H   0  0  0  0  0
    7.0107    5.3848   -0.7652 H   0  0  0  0  0
    7.1533    5.9980    0.8997 H   0  0  0  0  0
    5.2868    4.3232    0.3326 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  4 28  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 12  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 13 17  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 15 16  1  0  0  0
 15 36  1  0  0  0
 15 37  1  0  0  0
 16 21  1  0  0  0
 16 18  1  0  0  0
 16 17  1  0  0  0
 17 38  1  0  0  0
 17 39  1  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 18 41  1  0  0  0
 19 20  1  0  0  0
 19 42  1  0  0  0
 19 43  1  0  0  0
 20 21  1  0  0  0
 20 44  1  0  0  0
 20 45  1  0  0  0
 21 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3236564

>  <PubChem CID>
24996854

>  <Formula>
C16H25N5

>  <Molecular Weight>
287.411000

>  <IUPAC Name>
4-cyclopentyl-6-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCC(C1)C2=CC(=NC(=N2)N)N3CCC4(C3)CCCN4

>  <Isomeric SMILES>
C1CCC(C1)C2=CC(=NC(=N2)N)N3CCC4(C3)CCCN4

>  <InChI Std. ID>
InChI=1S/C16H25N5/c17-15-19-13(12-4-1-2-5-12)10-14(20-15)21-9-7-16(11-21)6-3-8-18-16/h10,12,18H,1-9,11H2,(H2,17,19,20)

>  <InChI Key>
BJCCJZOEFDQQHO-UHFFFAOYSA-N

