
 CHEMBL3342364

 39 41  0  0  0  0  0  0  0  0999 V2000
    3.3389   -0.9782    0.8717 C   0  0  0  0  0
    2.4421   -0.0092    0.2616 N   0  0  0  0  0
    1.0693    0.0082    0.7374 C   0  0  0  0  0
    3.0122    1.2512    0.0660 C   0  0  0  0  0
    2.2086    2.3220    0.0030 N   0  0  0  0  0
    2.7646    3.5372   -0.2041 C   0  0  0  0  0
    4.1285    3.6850   -0.3444 C   0  0  0  0  0
    4.8978    2.5487   -0.2577 C   0  0  0  0  0
    4.3451    1.3436   -0.0636 N   0  0  0  0  0
    6.2897    2.6813   -0.4197 N   0  0  0  0  0
    7.0372    1.4375   -0.3076 C   0  0  0  0  0
    8.5220    1.6566   -0.4442 C   0  0  0  0  0
    9.1408    2.9124   -1.0164 C   0  0  0  0  0
    9.2656    2.6165    0.4542 C   0  0  0  0  0
    1.8380    4.6922   -0.2624 C   0  0  0  0  0
    0.4550    4.5466   -0.1243 C   0  0  0  0  0
   -0.3655    5.6720   -0.1796 C   0  0  0  0  0
    0.2060    6.9207   -0.3746 C   0  0  0  0  0
    1.5809    6.9928   -0.5041 C   0  0  0  0  0
    2.4009    5.9194   -0.4496 N   0  0  0  0  0
    4.2256   -1.1576    0.2535 H   0  0  0  0  0
    2.8372   -1.9461    0.9789 H   0  0  0  0  0
    3.6551   -0.6555    1.8710 H   0  0  0  0  0
    0.6877   -1.0142    0.8347 H   0  0  0  0  0
    0.4057    0.5183    0.0300 H   0  0  0  0  0
    0.9897    0.4885    1.7189 H   0  0  0  0  0
    4.5768    4.6532   -0.5269 H   0  0  0  0  0
    6.6336    3.3933    0.2145 H   0  0  0  0  0
    6.7266    0.7449   -1.1003 H   0  0  0  0  0
    6.8538    0.9548    0.6607 H   0  0  0  0  0
    9.0187    0.7159   -0.6631 H   0  0  0  0  0
    8.4970    3.7266   -1.3257 H   0  0  0  0  0
   10.0244    2.8015   -1.6344 H   0  0  0  0  0
   10.2364    2.3083    0.8277 H   0  0  0  0  0
    8.7065    3.2305    1.1497 H   0  0  0  0  0
    0.0159    3.5651    0.0256 H   0  0  0  0  0
   -1.4416    5.5685   -0.0728 H   0  0  0  0  0
   -0.4037    7.8156   -0.4253 H   0  0  0  0  0
    2.0777    7.9457   -0.6606 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  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  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 15  1  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  8  9  2  0  0  0
  8 10  1  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 11 12  1  0  0  0
 11 29  1  0  0  0
 11 30  1  0  0  0
 12 14  1  0  0  0
 12 13  1  0  0  0
 12 31  1  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 13 33  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 15 16  2  0  0  0
 15 20  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
 18 19  1  0  0  0
 18 38  1  0  0  0
 19 20  2  0  0  0
 19 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3342364

>  <PubChem CID>
118716407

>  <Formula>
C15H19N5

>  <Molecular Weight>
269.352000

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

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(C)C1=NC(=CC(=N1)NCC2CC2)C3=CC=CC=N3

>  <Isomeric SMILES>
CN(C)C1=NC(=CC(=N1)NCC2CC2)C3=CC=CC=N3

>  <InChI Std. ID>
InChI=1S/C15H19N5/c1-20(2)15-18-13(12-5-3-4-8-16-12)9-14(19-15)17-10-11-6-7-11/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,17,18,19)

>  <InChI Key>
QTJORYMKMUGJAQ-UHFFFAOYSA-N

