
 CHEMBL497918

 41 43  0  0  0  0  0  0  0  0999 V2000
    3.9748   -1.6510    0.4496 C   0  0  0  0  0
    3.2016   -0.6142   -0.2350 N   0  0  0  0  0
    2.8580   -0.9310   -1.6197 C   0  0  0  0  0
    3.7117    0.6809   -0.0399 C   0  0  0  0  0
    4.8502    0.8543    0.6570 N   0  0  0  0  0
    5.2988    2.1235    0.8568 C   0  0  0  0  0
    4.6977    3.2829    0.4019 C   0  0  0  0  0
    3.5255    3.1040   -0.3258 C   0  0  0  0  0
    3.0254    1.7918   -0.5241 C   0  0  0  0  0
    2.9187    4.2812   -0.8032 C   0  0  0  0  0
    3.4210    5.4975   -0.5289 N   0  0  0  0  0
    4.5461    5.5410    0.1916 C   0  0  0  0  0
    5.2235    4.4900    0.6630 N   0  0  0  0  0
    1.7356    4.1831   -1.5588 N   0  0  0  0  0
    1.1094    5.4265   -2.0248 C   0  0  0  0  0
    1.7734    5.9483   -3.3096 C   0  0  0  0  0
    1.4792    5.0886   -4.5400 C   0  0  0  0  0
   -0.0164    4.8629   -4.7317 C   0  0  0  0  0
   -0.6643    4.2869   -3.4780 C   0  0  0  0  0
   -0.3879    5.1571   -2.2523 C   0  0  0  0  0
    4.9800   -1.7536    0.0243 H   0  0  0  0  0
    3.4704   -2.6192    0.3508 H   0  0  0  0  0
    4.0511   -1.4502    1.5248 H   0  0  0  0  0
    2.5212   -1.9711   -1.6997 H   0  0  0  0  0
    3.7213   -0.8058   -2.2838 H   0  0  0  0  0
    2.0311   -0.3154   -1.9884 H   0  0  0  0  0
    6.2172    2.1877    1.4345 H   0  0  0  0  0
    2.0721    1.6560   -1.0226 H   0  0  0  0  0
    4.9485    6.5241    0.4121 H   0  0  0  0  0
    1.8648    3.5098   -2.3072 H   0  0  0  0  0
    1.1741    6.1951   -1.2439 H   0  0  0  0  0
    2.8591    6.0324   -3.1845 H   0  0  0  0  0
    1.4034    6.9639   -3.5025 H   0  0  0  0  0
    1.8911    5.5756   -5.4312 H   0  0  0  0  0
    1.9875    4.1215   -4.4497 H   0  0  0  0  0
   -0.4990    5.8146   -4.9865 H   0  0  0  0  0
   -0.1821    4.1857   -5.5771 H   0  0  0  0  0
   -1.7466    4.2037   -3.6302 H   0  0  0  0  0
   -0.2921    3.2698   -3.3058 H   0  0  0  0  0
   -0.9031    6.1176   -2.3822 H   0  0  0  0  0
   -0.8260    4.6818   -1.3662 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 27  1  0  0  0
  7 13  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 10  1  0  0  0
  9 28  1  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 29  1  0  0  0
 14 15  1  0  0  0
 14 30  1  0  0  0
 15 20  1  0  0  0
 15 16  1  0  0  0
 15 31  1  0  0  0
 16 17  1  0  0  0
 16 32  1  0  0  0
 16 33  1  0  0  0
 17 18  1  0  0  0
 17 34  1  0  0  0
 17 35  1  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 18 37  1  0  0  0
 19 20  1  0  0  0
 19 38  1  0  0  0
 19 39  1  0  0  0
 20 40  1  0  0  0
 20 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL497918

>  <PubChem CID>
44592517

>  <Formula>
C15H21N5

>  <Molecular Weight>
271.368000

>  <IUPAC Name>
4-N-cyclohexyl-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(C)C1=NC=C2C(=C1)C(=NC=N2)NC3CCCCC3

>  <Isomeric SMILES>
CN(C)C1=NC=C2C(=C1)C(=NC=N2)NC3CCCCC3

>  <InChI Std. ID>
InChI=1S/C15H21N5/c1-20(2)14-8-12-13(9-16-14)17-10-18-15(12)19-11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,17,18,19)

>  <InChI Key>
BIHNHSWAESOZQF-UHFFFAOYSA-N

