
 CHEMBL3342365

 41 42  0  0  0  0  0  0  0  0999 V2000
    4.5520   -0.8079    0.7930 C   0  0  0  0  0
    4.9879   -0.0850    2.0788 C   0  0  0  0  0
    3.7453    0.4050    2.8413 C   0  0  0  0  0
    5.7429   -1.0887    2.9730 C   0  0  0  0  0
    5.9455    1.0919    1.7616 C   0  0  0  0  0
    5.3690    2.0338    0.8069 N   0  0  0  0  0
    6.0723    3.2156    0.5842 C   0  0  0  0  0
    5.3281    4.3260    0.5260 N   0  0  0  0  0
    5.9521    5.4869    0.2918 C   0  0  0  0  0
    7.2743    5.6123    0.1490 N   0  0  0  0  0
    8.0165    4.4822    0.1950 C   0  0  0  0  0
    7.4320    3.2476    0.3964 C   0  0  0  0  0
    9.4834    4.6272    0.0358 C   0  0  0  0  0
   10.0946    5.8577   -0.2108 C   0  0  0  0  0
   11.4818    5.9232   -0.3345 C   0  0  0  0  0
   12.2327    4.7624   -0.2119 C   0  0  0  0  0
   11.5625    3.5784    0.0309 C   0  0  0  0  0
   10.2209    3.4864    0.1590 N   0  0  0  0  0
    5.2286    6.6666    0.1893 N   0  0  0  0  0
    4.0038    6.7041    0.9530 C   0  0  0  0  0
    5.4204   -1.1510    0.2196 H   0  0  0  0  0
    3.9573   -0.1562    0.1438 H   0  0  0  0  0
    3.9376   -1.6857    1.0238 H   0  0  0  0  0
    3.1238    1.0651    2.2278 H   0  0  0  0  0
    4.0293    0.9556    3.7452 H   0  0  0  0  0
    3.1164   -0.4377    3.1507 H   0  0  0  0  0
    6.6347   -1.4767    2.4675 H   0  0  0  0  0
    5.1103   -1.9452    3.2320 H   0  0  0  0  0
    6.0677   -0.6190    3.9084 H   0  0  0  0  0
    6.8729    0.6777    1.3464 H   0  0  0  0  0
    6.2054    1.6123    2.6932 H   0  0  0  0  0
    4.4119    2.3180    1.0088 H   0  0  0  0  0
    8.0280    2.3460    0.4032 H   0  0  0  0  0
    9.4997    6.7612   -0.3061 H   0  0  0  0  0
   11.9686    6.8751   -0.5252 H   0  0  0  0  0
   13.3128    4.7788   -0.3038 H   0  0  0  0  0
   12.1011    2.6409    0.1338 H   0  0  0  0  0
    5.8804    7.4249    0.3505 H   0  0  0  0  0
    3.2713    5.9812    0.5770 H   0  0  0  0  0
    3.5532    7.6977    0.8613 H   0  0  0  0  0
    4.1847    6.5184    2.0174 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  5  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 27  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 19  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 12 33  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 15 16  2  0  0  0
 15 35  1  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 17 18  2  0  0  0
 17 37  1  0  0  0
 19 20  1  0  0  0
 19 38  1  0  0  0
 20 39  1  0  0  0
 20 40  1  0  0  0
 20 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3342365

>  <PubChem CID>
118716408

>  <Formula>
C15H21N5

>  <Molecular Weight>
271.368000

>  <IUPAC Name>
4-N-(2,2-dimethylpropyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)(C)CNC1=NC(=NC(=C1)C2=CC=CC=N2)NC

>  <Isomeric SMILES>
CC(C)(C)CNC1=NC(=NC(=C1)C2=CC=CC=N2)NC

>  <InChI Std. ID>
InChI=1S/C15H21N5/c1-15(2,3)10-18-13-9-12(19-14(16-4)20-13)11-7-5-6-8-17-11/h5-9H,10H2,1-4H3,(H2,16,18,19,20)

>  <InChI Key>
JCDBDQZHKLBHIY-UHFFFAOYSA-N

