Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01994"
| Predicate | Value (sorted: none) |
|---|---|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.
Purines and Purine Derivatives
Organic Compounds
Heterocyclic Compounds
Imidazopyrimidines
Purines and Purine Derivatives
Aminopyrimidines and Derivatives
Pyridines and Derivatives
Imidazoles
1,2-Aminoalcohols
Polyamines
Primary Alcohols
Secondary Amines
aminopyrimidine
pyrimidine
pyridine
imidazole
azole
1,2-aminoalcohol
polyamine
primary alcohol
secondary amine
amine
alcohol
organonitrogen compound
logP
0.85
ALOGPS
logS
-3.1
ALOGPS
Water Solubility
1.99e-01 g/l
ALOGPS
logP
-0.015
ChemAxon
IUPAC Name
2-({pyrido[2,1-h]purin-4-yl}amino)ethan-1-ol
ChemAxon
Traditional IUPAC Name
2-{pyrido[2,1-h]purin-4-ylamino}ethanol
ChemAxon
Molecular Weight
229.2379
ChemAxon
Monoisotopic Weight
229.096359999
ChemAxon
SMILES
OCCNC1=NC=NC2=C1N=C1C=CC=CN21
ChemAxon
Molecular Formula
C11H11N5O
ChemAxon
InChI
InChI=1S/C11H11N5O/c17-6-4-12-10-9-11(14-7-13-10)16-5-2-1-3-8(16)15-9/h1-3,5,7,17H,4,6H2,(H,12,13,14)
ChemAxon
InChIKey
InChIKey=QBILBVYKWQWDQJ-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
75.34
ChemAxon
Refractivity
65.31
ChemAxon
Polarizability
23.92
ChemAxon
Rotatable Bond Count
3
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
15.33
ChemAxon
pKa (strongest basic)
0.59
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
1522
PubChem Substance
46509021
ChemSpider
1468
PDB
PPZ
"
|
| rdfs:label |
"2-(Pyrido[1,2-E]Purin-4-Yl)Amino-Ethanol"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object