Mrv1572004191602412D          

 20 22  0  0  0  0            999 V2000
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   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    4.5375    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
   -4.2868    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 12  1  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 15 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 13  2  0  0  0  0
 16 14  1  0  0  0  0
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 17  3  1  0  0  0  0
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 18  5  1  0  0  0  0
 18  6  1  0  0  0  0
 18 13  1  0  0  0  0
 19  7  1  0  0  0  0
 19  8  1  0  0  0  0
 19 14  1  0  0  0  0
 20  9  1  0  0  0  0
 20 10  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM009430

> <DATABASE_NAME>
chemdb

> <SMILES>
CN1CCN(CC1)C1=NC(=NC(C)=C1)N1CCOCC1

> <INCHI_IDENTIFIER>
InChI=1S/C14H23N5O/c1-12-11-13(18-5-3-17(2)4-6-18)16-14(15-12)19-7-9-20-10-8-19/h11H,3-10H2,1-2H3

> <INCHI_KEY>
BMBIEKJDTGAZCY-UHFFFAOYSA-N

> <FORMULA>
C14H23N5O

> <MOLECULAR_WEIGHT>
277.372

> <EXACT_MASS>
277.190260381

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
31.44704044064253

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine

> <ALOGPS_LOGP>
1.50

> <JCHEM_LOGP>
1.2990560216666664

> <ALOGPS_LOGS>
-1.92

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA_STRONGEST_BASIC>
7.804130394347572

> <JCHEM_POLAR_SURFACE_AREA>
44.730000000000004

> <JCHEM_REFRACTIVITY>
81.5551

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.32e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine

> <JCHEM_VEBER_RULE>
0

> <NAME>
cis-13-Decosenamide

> <CAS>
112-84-5

$$$$