
 CHEMBL137123

 51 53  0  0  0  0  0  0  0  0999 V2000
    1.2416    1.0936   -2.1865 C   0  0  0  0  0
    2.7419    1.2610   -2.0049 C   0  0  0  0  0
    3.1419    1.1574   -0.5322 C   0  0  0  0  0
    4.5782    1.3226   -0.3573 N   0  0  0  0  0
    5.4406    0.1555   -0.2775 C   0  0  0  0  0
    6.1579   -0.0799   -1.5789 C   0  0  0  0  0
    7.6350    0.1985   -1.7155 C   0  0  0  0  0
    7.1401   -1.2194   -1.7008 C   0  0  0  0  0
    5.1181    2.5885   -0.2532 C   0  0  0  0  0
    4.3146    3.6391   -0.3927 N   0  0  0  0  0
    4.8868    4.8371   -0.2929 C   0  0  0  0  0
    6.1728    5.0439   -0.0329 N   0  0  0  0  0
    6.9035    3.9461    0.1116 C   0  0  0  0  0
    6.4177    2.7144   -0.0097 N   0  0  0  0  0
    8.2706    4.0094    0.3626 N   0  0  0  0  0
    9.1487    5.0593    0.6729 C   0  0  0  0  0
   10.3842    5.1304   -0.0237 C   0  0  0  0  0
   11.2934    6.1652    0.2494 C   0  0  0  0  0
   10.9899    7.1418    1.1887 C   0  0  0  0  0
    9.7769    7.0911    1.8668 C   0  0  0  0  0
    8.8542    6.0532    1.6335 C   0  0  0  0  0
    7.5976    6.0572    2.4611 C   0  0  0  0  0
   10.7455    4.1203   -1.0833 C   0  0  0  0  0
    4.0045    6.0348   -0.4542 C   0  0  0  0  0
    0.9773    1.1777   -3.2452 H   0  0  0  0  0
    0.6913    1.8631   -1.6362 H   0  0  0  0  0
    0.9118    0.1126   -1.8313 H   0  0  0  0  0
    3.0475    2.2289   -2.4190 H   0  0  0  0  0
    3.2563    0.4903   -2.5897 H   0  0  0  0  0
    2.8321    0.1769   -0.1481 H   0  0  0  0  0
    2.5841    1.8861    0.0700 H   0  0  0  0  0
    4.8403   -0.7367   -0.0612 H   0  0  0  0  0
    6.1437    0.2385    0.5614 H   0  0  0  0  0
    5.5279    0.1079   -2.4392 H   0  0  0  0  0
    8.1774    0.5565   -0.8483 H   0  0  0  0  0
    7.9799    0.6142   -2.6552 H   0  0  0  0  0
    7.1570   -1.7725   -2.6329 H   0  0  0  0  0
    7.3517   -1.8210   -0.8240 H   0  0  0  0  0
    8.6842    3.1027    0.2118 H   0  0  0  0  0
   12.2416    6.2190   -0.2781 H   0  0  0  0  0
   11.6959    7.9423    1.3932 H   0  0  0  0  0
    9.5545    7.8623    2.6028 H   0  0  0  0  0
    7.2455    5.0431    2.6689 H   0  0  0  0  0
    6.8135    6.6310    1.9594 H   0  0  0  0  0
    7.7796    6.5187    3.4381 H   0  0  0  0  0
    9.9877    4.1106   -1.8730 H   0  0  0  0  0
   10.8314    3.1221   -0.6435 H   0  0  0  0  0
   11.7050    4.3567   -1.5547 H   0  0  0  0  0
    4.5972    6.9453   -0.5816 H   0  0  0  0  0
    3.3714    6.1493    0.4299 H   0  0  0  0  0
    3.3659    5.9159   -1.3339 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  8  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8 37  1  0  0  0
  8 38  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 24  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 15  1  0  0  0
 15 16  1  0  0  0
 15 39  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 23  1  0  0  0
 18 19  2  0  0  0
 18 40  1  0  0  0
 19 20  1  0  0  0
 19 41  1  0  0  0
 20 21  2  0  0  0
 20 42  1  0  0  0
 21 22  1  0  0  0
 22 43  1  0  0  0
 22 44  1  0  0  0
 22 45  1  0  0  0
 23 46  1  0  0  0
 23 47  1  0  0  0
 23 48  1  0  0  0
 24 49  1  0  0  0
 24 50  1  0  0  0
 24 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL137123

>  <PubChem CID>
10782323

>  <Formula>
C19H27N5

>  <Molecular Weight>
325.460000

>  <IUPAC Name>
2-N-(cyclopropylmethyl)-4-N-(2,6-dimethylphenyl)-6-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCN(CC1CC1)C2=NC(=NC(=N2)NC3=C(C=CC=C3C)C)C

>  <Isomeric SMILES>
CCCN(CC1CC1)C2=NC(=NC(=N2)NC3=C(C=CC=C3C)C)C

>  <InChI Std. ID>
InChI=1S/C19H27N5/c1-5-11-24(12-16-9-10-16)19-21-15(4)20-18(23-19)22-17-13(2)7-6-8-14(17)3/h6-8,16H,5,9-12H2,1-4H3,(H,20,21,22,23)

>  <InChI Key>
ATMBQVWNGYMYOK-UHFFFAOYSA-N

