Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03099"
| Predicate | Value (sorted: none) |
|---|---|
| owl:sameAs | |
| rdfs:label |
"5-Amino 6-Nitro Uracil"
|
| drugbank:description |
"
experimental
This compound belongs to the nitropyrimidines. These are compounds containing a pyrimidine ring which bears a nitro group.
Nitropyrimidines
Organic Compounds
Heterocyclic Compounds
Diazines
Pyrimidines and Pyrimidine Derivatives
Pyrimidones
Aminopyrimidines and Derivatives
Primary Aromatic Amines
Hydropyrimidines
Nitronic Acids
Nitro Compounds
Polyamines
Organic Oxoazanium Compounds
aminopyrimidine
pyrimidone
hydropyrimidine
primary aromatic amine
nitronic acid
nitro compound
organic oxoazanium
polyamine
organonitrogen compound
primary amine
amine
logP
-1.1
ALOGPS
logS
-1.9
ALOGPS
Water Solubility
1.97e+00 g/l
ALOGPS
logP
-1.6
ChemAxon
IUPAC Name
5-amino-6-nitro-1,2,3,4-tetrahydropyrimidine-2,4-dione
ChemAxon
Traditional IUPAC Name
5-amino 6-nitro uracil
ChemAxon
Molecular Weight
172.099
ChemAxon
Monoisotopic Weight
172.023254636
ChemAxon
SMILES
NC1=C(NC(=O)NC1=O)[N+]([O-])=O
ChemAxon
Molecular Formula
C4H4N4O4
ChemAxon
InChI
InChI=1S/C4H4N4O4/c5-1-2(8(11)12)6-4(10)7-3(1)9/h5H2,(H2,6,7,9,10)
ChemAxon
InChIKey
InChIKey=CLOSWQFGCBFNCK-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
130.04
ChemAxon
Refractivity
34.58
ChemAxon
Polarizability
13.01
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
6.07
ChemAxon
pKa (strongest basic)
-4.3
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
4369374
PubChem Substance
46508998
PDB
UNC
"
|
| rdf:type |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object