Mrv1572004191603252D          

 11 11  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    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
    0.0000    0.0000    0.0000 C   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  2  0  0  0  0
  9  6  1  0  0  0  0
 10  1  1  0  0  0  0
 10  4  1  0  0  0  0
 11  2  1  0  0  0  0
 11  5  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM012022

> <DATABASE_NAME>
chemdb

> <SMILES>
COC1=CC(OC)=NC(=N)N1

> <INCHI_IDENTIFIER>
InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)

> <INCHI_KEY>
LVFRCHIUUKWBLR-UHFFFAOYSA-N

> <FORMULA>
C6H9N3O2

> <MOLECULAR_WEIGHT>
155.157

> <EXACT_MASS>
155.069476542

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_POLARIZABILITY>
14.917045973762022

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4,6-dimethoxy-1,2-dihydropyrimidin-2-imine

> <ALOGPS_LOGP>
-0.10

> <JCHEM_LOGP>
0.06390766366666645

> <ALOGPS_LOGS>
-2.18

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.432170763800981

> <JCHEM_PKA_STRONGEST_BASIC>
-0.44765172892637695

> <JCHEM_POLAR_SURFACE_AREA>
66.7

> <JCHEM_REFRACTIVITY>
59.74390000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.03e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4,6-dimethoxy-1H-pyrimidin-2-imine

> <JCHEM_VEBER_RULE>
0

> <NAME>
4,6-Dimethoxypyrimidin-2-amine

> <CAS>
36315-01-2

> <SYNONYMS>
Bensulfuron methyl IN-J0290; AE-F092944; Methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate

$$$$