
 CHEMBL3342359

 36 38  0  0  0  0  0  0  0  0999 V2000
    3.2275   -0.9489   -0.9875 C   0  0  0  0  0
    2.4632    0.1087   -0.3714 N   0  0  0  0  0
    3.0769    1.3560   -0.3758 C   0  0  0  0  0
    2.2469    2.4022   -0.4077 N   0  0  0  0  0
    2.7990    3.6372   -0.3730 C   0  0  0  0  0
    4.1691    3.8092   -0.3413 C   0  0  0  0  0
    4.9531    2.6774   -0.3401 C   0  0  0  0  0
    4.4099    1.4533   -0.3477 N   0  0  0  0  0
    6.3470    2.8432   -0.2598 N   0  0  0  0  0
    7.1135    1.6083   -0.3290 C   0  0  0  0  0
    8.5666    1.9676   -0.2295 C   0  0  0  0  0
    9.6072    1.1927   -0.9987 C   0  0  0  0  0
    9.2872    2.6078   -1.3910 C   0  0  0  0  0
    1.8676    4.7899   -0.3471 C   0  0  0  0  0
    0.4803    4.6321   -0.3135 C   0  0  0  0  0
   -0.3396    5.7583   -0.2613 C   0  0  0  0  0
    0.2373    7.0203   -0.2433 C   0  0  0  0  0
    1.6165    7.1040   -0.2851 C   0  0  0  0  0
    2.4349    6.0299   -0.3398 N   0  0  0  0  0
    2.6365   -1.8703   -0.9793 H   0  0  0  0  0
    4.1536   -1.1545   -0.4386 H   0  0  0  0  0
    3.4685   -0.7178   -2.0314 H   0  0  0  0  0
    1.5237    0.2443   -0.7207 H   0  0  0  0  0
    4.6129    4.7960   -0.2969 H   0  0  0  0  0
    6.6516    3.5155   -0.9578 H   0  0  0  0  0
    6.9122    1.0788   -1.2692 H   0  0  0  0  0
    6.8612    0.9447    0.5061 H   0  0  0  0  0
    8.8246    2.3042    0.7690 H   0  0  0  0  0
    9.2838    0.3987   -1.6621 H   0  0  0  0  0
   10.5585    1.0028   -0.5134 H   0  0  0  0  0
   10.0177    3.3776   -1.1657 H   0  0  0  0  0
    8.7467    2.7671   -2.3165 H   0  0  0  0  0
    0.0373    3.6401   -0.3183 H   0  0  0  0  0
   -1.4194    5.6458   -0.2282 H   0  0  0  0  0
   -0.3721    7.9155   -0.1954 H   0  0  0  0  0
    2.1184    8.0670   -0.2718 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  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 14  1  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
 10 11  1  0  0  0
 10 26  1  0  0  0
 10 27  1  0  0  0
 11 13  1  0  0  0
 11 12  1  0  0  0
 11 28  1  0  0  0
 12 13  1  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
 13 31  1  0  0  0
 13 32  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 33  1  0  0  0
 16 17  2  0  0  0
 16 34  1  0  0  0
 17 18  1  0  0  0
 17 35  1  0  0  0
 18 19  2  0  0  0
 18 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3342359

>  <PubChem CID>
118716402

>  <Formula>
C14H17N5

>  <Molecular Weight>
255.325000

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

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CNC1=NC(=CC(=N1)NCC2CC2)C3=CC=CC=N3

>  <Isomeric SMILES>
CNC1=NC(=CC(=N1)NCC2CC2)C3=CC=CC=N3

>  <InChI Std. ID>
InChI=1S/C14H17N5/c1-15-14-18-12(11-4-2-3-7-16-11)8-13(19-14)17-9-10-5-6-10/h2-4,7-8,10H,5-6,9H2,1H3,(H2,15,17,18,19)

>  <InChI Key>
XYYAWWCGBSMEAW-UHFFFAOYSA-N

