Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02037"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"2,4-Diamino-4,6-Dihydroxypyrimidine"
|
| owl:sameAs | |
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the pyrimidines and pyrimidine derivatives. These are compounds containing a pyrimidne ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) and four carbon atoms.
Pyrimidines and Pyrimidine Derivatives
Organic Compounds
Heterocyclic Compounds
Diazines
Pyrimidines and Pyrimidine Derivatives
Primary Aromatic Amines
Polyols
Polyamines
polyol
polyamine
amine
primary amine
organonitrogen compound
logP
-1.2
ALOGPS
logS
-0.58
ALOGPS
Water Solubility
3.78e+01 g/l
ALOGPS
logP
-0.35
ChemAxon
IUPAC Name
diaminopyrimidine-4,6-diol
ChemAxon
Traditional IUPAC Name
diaminopyrimidine-4,6-diol
ChemAxon
Molecular Weight
142.116
ChemAxon
Monoisotopic Weight
142.049075456
ChemAxon
SMILES
NC1=NC(O)=C(N)C(O)=N1
ChemAxon
Molecular Formula
C4H6N4O2
ChemAxon
InChI
InChI=1S/C4H6N4O2/c5-1-2(9)7-4(6)8-3(1)10/h5H2,(H4,6,7,8,9,10)
ChemAxon
InChIKey
InChIKey=HWSJQFCTYLBBOF-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
118.28
ChemAxon
Refractivity
36.66
ChemAxon
Polarizability
12.33
ChemAxon
Rotatable Bond Count
0
ChemAxon
H Bond Acceptor Count
6
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
12.91
ChemAxon
pKa (strongest basic)
0.41
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
2733981
PubChem Substance
46506204
ChemSpider
2015743
PDB
DDP
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object