
 CHEMBL1916505

 38 39  0  0  0  0  0  0  0  0999 V2000
    2.8143    5.4775   -0.3323 C   0  0  0  0  0
    3.7603    5.9408    0.6857 N   0  0  0  0  0
    3.0319    6.6084    1.7691 C   0  0  0  0  0
    4.5611    4.8274    1.2401 C   0  0  0  0  0
    5.4618    4.0755    0.2322 C   0  0  0  0  0
    6.3219    4.9943   -0.5007 N   0  0  0  0  0
    7.6925    4.8193   -0.5321 C   0  0  0  0  0
    8.4256    5.9374   -0.5492 N   0  0  0  0  0
    9.7529    5.7769   -0.6506 C   0  0  0  0  0
   10.4141    4.6132   -0.7197 N   0  0  0  0  0
    9.6632    3.5066   -0.6890 C   0  0  0  0  0
    8.2832    3.5732   -0.6102 C   0  0  0  0  0
   10.2497    2.2312   -0.7644 N   0  0  0  0  0
   11.6945    2.2194   -0.9262 C   0  0  0  0  0
   12.1361    0.7838   -0.9140 C   0  0  0  0  0
   13.5065    0.3994   -0.4172 C   0  0  0  0  0
   12.2896    0.0416    0.3914 C   0  0  0  0  0
    3.3383    5.1047   -1.2179 H   0  0  0  0  0
    2.1846    6.3048   -0.6801 H   0  0  0  0  0
    2.1575    4.6851    0.0449 H   0  0  0  0  0
    2.4600    7.4602    1.3846 H   0  0  0  0  0
    3.7295    7.0100    2.5124 H   0  0  0  0  0
    2.3377    5.9296    2.2787 H   0  0  0  0  0
    3.9093    4.0952    1.7348 H   0  0  0  0  0
    5.2238    5.2381    2.0137 H   0  0  0  0  0
    4.8477    3.5228   -0.4872 H   0  0  0  0  0
    6.0333    3.3310    0.7984 H   0  0  0  0  0
    6.0877    5.9783   -0.3715 H   0  0  0  0  0
   10.3516    6.6804   -0.6784 H   0  0  0  0  0
    7.6932    2.6688   -0.6484 H   0  0  0  0  0
    9.9579    1.6843    0.0401 H   0  0  0  0  0
   12.1909    2.7770   -0.1227 H   0  0  0  0  0
   11.9753    2.6648   -1.8880 H   0  0  0  0  0
   11.7416    0.2370   -1.7642 H   0  0  0  0  0
   14.1593    1.1764   -0.0361 H   0  0  0  0  0
   14.0255   -0.4012   -0.9323 H   0  0  0  0  0
   11.9845   -0.9983    0.4198 H   0  0  0  0  0
   12.1242    0.5786    1.3185 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 29  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 12 30  1  0  0  0
 13 14  1  0  0  0
 13 31  1  0  0  0
 14 15  1  0  0  0
 14 32  1  0  0  0
 14 33  1  0  0  0
 15 17  1  0  0  0
 15 16  1  0  0  0
 15 34  1  0  0  0
 16 17  1  0  0  0
 16 35  1  0  0  0
 16 36  1  0  0  0
 17 37  1  0  0  0
 17 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1916505

>  <PubChem CID>
57399829

>  <Formula>
C12H21N5

>  <Molecular Weight>
235.335000

>  <IUPAC Name>
4-N-(cyclopropylmethyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(C)CCNC1=NC=NC(=C1)NCC2CC2

>  <Isomeric SMILES>
CN(C)CCNC1=NC=NC(=C1)NCC2CC2

>  <InChI Std. ID>
InChI=1S/C12H21N5/c1-17(2)6-5-13-11-7-12(16-9-15-11)14-8-10-3-4-10/h7,9-10H,3-6,8H2,1-2H3,(H2,13,14,15,16)

>  <InChI Key>
BBTHSTOBJBDQIY-UHFFFAOYSA-N

