
 PF-3893787

 41 43  0  0  0  0  0  0  0  0999 V2000
    3.3994    3.5675   -3.0772 C   0  0  0  0  0
    3.8516    2.4391   -2.2731 N   0  0  0  0  0
    3.3792    2.5208   -0.8867 C   0  0  0  0  0
    3.9115    1.3573   -0.0463 C   0  0  0  0  0
    3.6805    1.8302    1.3898 C   0  0  0  0  0
    3.8570    3.2732    1.3068 N   0  0  0  0  0
    3.8358    3.7499   -0.0675 C   0  0  0  0  0
    3.9427    4.0576    2.4258 C   0  0  0  0  0
    4.0135    5.4324    2.3439 C   0  0  0  0  0
    4.0900    6.1609    3.5148 C   0  0  0  0  0
    4.1426    5.5596    4.7075 N   0  0  0  0  0
    4.0621    4.2307    4.7104 C   0  0  0  0  0
    3.9662    3.4566    3.6266 N   0  0  0  0  0
    4.1464    3.5942    5.9365 N   0  0  0  0  0
    4.1637    7.5609    3.4006 N   0  0  0  0  0
    4.2359    8.2848    4.6602 C   0  0  0  0  0
    4.2548    9.7543    4.3412 C   0  0  0  0  0
    5.2650   10.6745    4.9816 C   0  0  0  0  0
    5.3774   10.3455    3.5205 C   0  0  0  0  0
    3.7220    3.4266   -4.1130 H   0  0  0  0  0
    3.8229    4.5133   -2.7253 H   0  0  0  0  0
    2.3077    3.6424   -3.0787 H   0  0  0  0  0
    4.8716    2.4027   -2.2882 H   0  0  0  0  0
    2.2813    2.4730   -0.8764 H   0  0  0  0  0
    4.9863    1.2107   -0.2160 H   0  0  0  0  0
    3.4020    0.4122   -0.2572 H   0  0  0  0  0
    2.6605    1.5935    1.7138 H   0  0  0  0  0
    4.3944    1.3504    2.0683 H   0  0  0  0  0
    3.1348    4.5779   -0.2197 H   0  0  0  0  0
    4.8421    4.0724   -0.3601 H   0  0  0  0  0
    4.0186    5.9481    1.3942 H   0  0  0  0  0
    4.5149    2.6645    5.7910 H   0  0  0  0  0
    4.6511    4.1916    6.5767 H   0  0  0  0  0
    3.4010    7.8926    2.8187 H   0  0  0  0  0
    5.1405    8.0028    5.2122 H   0  0  0  0  0
    3.3635    8.0734    5.2896 H   0  0  0  0  0
    3.2566   10.1410    4.1688 H   0  0  0  0  0
    6.0087   10.2535    5.6492 H   0  0  0  0  0
    4.9434   11.6737    5.2514 H   0  0  0  0  0
    5.1248   11.1141    2.7997 H   0  0  0  0  0
    6.1800    9.6878    3.2036 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  3  7  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6  8  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 14  1  0  0  0
 14 32  1  0  0  0
 14 33  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 19  1  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 18 19  1  0  0  0
 18 38  1  0  0  0
 18 39  1  0  0  0
 19 40  1  0  0  0
 19 41  1  0  0  0
M  END

>  <Chemical Name>
PF-3893787

>  <PubChem CID>
24745335

>  <Formula>
C13H22N6

>  <Molecular Weight>
262.361000

>  <IUPAC Name>
4-N-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine

>  <XlogP>
1.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CNC1CCN(C1)C2=CC(=NC(=N2)N)NCC3CC3

>  <Isomeric SMILES>
CN[C@@H]1CCN(C1)C2=CC(=NC(=N2)N)NCC3CC3

>  <InChI Std. ID>
InChI=1S/C13H22N6/c1-15-10-4-5-19(8-10)12-6-11(17-13(14)18-12)16-7-9-2-3-9/h6,9-10,15H,2-5,7-8H2,1H3,(H3,14,16,17,18)/t10-/m1/s1

>  <InChI Key>
ISBHYKVAFKTATD-SNVBAGLBSA-N

