Mrv1652306031606342D          

 25 25  0  0  0  0            999 V2000
    0.7145   10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    7.8375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    7.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    6.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    6.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    7.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 20 17  1  0  0  0  0
 21 17  2  0  0  0  0
 21 18  1  0  0  0  0
 22 17  1  0  0  0  0
 22 19  2  0  0  0  0
 23 18  2  0  0  0  0
 23 19  1  0  0  0  0
 24 13  1  0  0  0  0
 24 14  1  0  0  0  0
 24 18  1  0  0  0  0
 25 15  1  0  0  0  0
 25 16  1  0  0  0  0
 25 19  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM043074

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCN(CCCC)C1=NC(=NC(Cl)=N1)N(CCCC)CCCC

> <INCHI_IDENTIFIER>
InChI=1S/C19H36ClN5/c1-5-9-13-24(14-10-6-2)18-21-17(20)22-19(23-18)25(15-11-7-3)16-12-8-4/h5-16H2,1-4H3

> <INCHI_KEY>
VVISQEKWYPFFLK-UHFFFAOYSA-N

> <FORMULA>
C19H36ClN5

> <MOLECULAR_WEIGHT>
369.98

> <EXACT_MASS>
369.2659239

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
61

> <JCHEM_AVERAGE_POLARIZABILITY>
44.535921851720595

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N2,N2,N4,N4-tetrabutyl-6-chloro-1,3,5-triazine-2,4-diamine

> <ALOGPS_LOGP>
6.48

> <JCHEM_LOGP>
7.633538182333333

> <ALOGPS_LOGS>
-3.94

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
2.873511661467738

> <JCHEM_POLAR_SURFACE_AREA>
45.150000000000006

> <JCHEM_REFRACTIVITY>
112.2638

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.20e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N2,N2,N4,N4-tetrabutyl-6-chloro-1,3,5-triazine-2,4-diamine

> <JCHEM_VEBER_RULE>
0

> <NAME>
1,3,5-Triazine-2,4-diamine, N2,N2,N4,N4-tetrabutyl-6-chloro-

> <CAS>
39605-45-3

$$$$