Mrv0541 02241207562D          

 20 20  0  0  0  0            999 V2000
   -1.6256    1.2187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3573    0.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0890    1.2187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7393    0.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4710    1.2187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6256   -0.4057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3573    0.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0890   -0.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0890   -1.2187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7393    0.0008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4710    1.2187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7393    0.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0077    1.2187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3573    0.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6256    1.2187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4710   -0.4057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7393    0.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0077   -0.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0077   -1.2187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3573    0.0008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM028188

> <DATABASE_NAME>
chemdb

> <SMILES>
NC1=NC(=O)C(O)=C(N)N1.NC1=NC(O)=C(O)C(N)=N1

> <INCHI_IDENTIFIER>
InChI=1S/2C4H6N4O2/c2*5-2-1(9)3(10)8-4(6)7-2/h2*9H,(H5,5,6,7,8,10)

> <INCHI_KEY>
IYLIKMWNAWRQPO-UHFFFAOYSA-N

> <FORMULA>
C8H12N8O4

> <MOLECULAR_WEIGHT>
284.2321

> <EXACT_MASS>
284.098150912

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
12.354291608915478

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,6-diamino-5-hydroxy-1,4-dihydropyrimidin-4-one; diaminopyrimidine-4,5-diol

> <JCHEM_LOGP>
-0.34754601333333324

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
16.169794786171167

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.423631001058498

> <JCHEM_PKA_STRONGEST_BASIC>
3.5182443950324807

> <JCHEM_POLAR_SURFACE_AREA>
118.28

> <JCHEM_REFRACTIVITY>
36.6579

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
2,6-diamino-5-hydroxy-1H-pyrimidin-4-one; divicine

> <JCHEM_VEBER_RULE>
0

> <NAME>
2,4-Diamino-5,6-dihydroxypyrimidine

> <CAS>
60337-65-7

$$$$