Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03826"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"5,6-Diaminouracil"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone.
Pyrimidones
Organic Compounds
Heterocyclic Compounds
Diazines
Pyrimidines and Pyrimidine Derivatives
Aminopyrimidines and Derivatives
Primary Aromatic Amines
Hydropyrimidines
Polyamines
hydropyrimidine
primary aromatic amine
polyamine
primary amine
amine
organonitrogen compound
logP
-1.5
ALOGPS
logS
-1
ALOGPS
Water Solubility
1.38e+01 g/l
ALOGPS
logP
-2.2
ChemAxon
IUPAC Name
5,6-diamino-1,2,3,4-tetrahydropyrimidine-2,4-dione
ChemAxon
Traditional IUPAC Name
5,6-diaminouracil
ChemAxon
Molecular Weight
142.116
ChemAxon
Monoisotopic Weight
142.049075456
ChemAxon
SMILES
NC1=C(N)C(=O)NC(=O)N1
ChemAxon
Molecular Formula
C4H6N4O2
ChemAxon
InChI
InChI=1S/C4H6N4O2/c5-1-2(6)7-4(10)8-3(1)9/h5H2,(H4,6,7,8,9,10)
ChemAxon
InChIKey
InChIKey=BBTNLADSUVOPPN-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
110.24
ChemAxon
Refractivity
42.53
ChemAxon
Polarizability
12.08
ChemAxon
Rotatable Bond Count
0
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
9.42
ChemAxon
pKa (strongest basic)
2.52
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
76726
PubChem Substance
46506688
BindingDB
50047398
PDB
URN
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object