Mrv1572004191603002D          

 10 10  0  0  0  0            999 V2000
    2.1434   -0.4125    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
    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
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    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
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  3  2  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  8  5  2  0  0  0  0
  9  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  2  1  0  0  0  0
 10  5  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM010535

> <DATABASE_NAME>
chemdb

> <SMILES>
COC1=NC(C)=NC(=N)N1

> <INCHI_IDENTIFIER>
InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)

> <INCHI_KEY>
NXFQWRWXEYTOTK-UHFFFAOYSA-N

> <FORMULA>
C5H8N4O

> <MOLECULAR_WEIGHT>
140.146

> <EXACT_MASS>
140.069810894

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
18

> <JCHEM_AVERAGE_POLARIZABILITY>
13.615291255732595

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-methoxy-4-methyl-1,2-dihydro-1,3,5-triazin-2-imine

> <ALOGPS_LOGP>
-0.24

> <JCHEM_LOGP>
-0.4040182526666668

> <ALOGPS_LOGS>
-2.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.147704044091189

> <JCHEM_PKA_STRONGEST_BASIC>
0.05073709363694945

> <JCHEM_POLAR_SURFACE_AREA>
69.83

> <JCHEM_REFRACTIVITY>
45.853100000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.51e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-methoxy-6-methyl-3H-1,3,5-triazin-2-imine

> <JCHEM_VEBER_RULE>
0

> <NAME>
1,3,5-Triazin-2-amine, 4-methoxy-6-methyl-

> <CAS>
1668-54-8

> <SYNONYMS>
2-Amino-4-methoxy-6-methyl-1,3,5 triazin; 2-Methyl-4-amino-6-methoxy-s-triazine; 4-methoxy-6-methyl-1,3,5-triazin-2-amine

$$$$