Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02372"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"2,5-Dimethylpyrimidin-4-Amine"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. Aminopyrimidines play an important role in biological processes, since the pyrimidine ring is present in several vitamins, nucleic acids, and coenzymes.
Aminopyrimidines and Derivatives
Organic Compounds
Heterocyclic Compounds
Diazines
Pyrimidines and Pyrimidine Derivatives
Primary Aromatic Amines
Polyamines
primary aromatic amine
polyamine
primary amine
amine
organonitrogen compound
logP
0.4
ALOGPS
logS
-0.44
ALOGPS
Water Solubility
4.44e+01 g/l
ALOGPS
logP
0.9
ChemAxon
IUPAC Name
2,5-dimethylpyrimidin-4-amine
ChemAxon
Traditional IUPAC Name
2,5-dimethylpyrimidin-4-amine
ChemAxon
Molecular Weight
123.1558
ChemAxon
Monoisotopic Weight
123.079647303
ChemAxon
SMILES
CC1=CN=C(C)N=C1N
ChemAxon
Molecular Formula
C6H9N3
ChemAxon
InChI
InChI=1S/C6H9N3/c1-4-3-8-5(2)9-6(4)7/h3H,1-2H3,(H2,7,8,9)
ChemAxon
InChIKey
InChIKey=UXKNAXNFIYFMIB-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
51.8
ChemAxon
Refractivity
37.4
ChemAxon
Polarizability
13.28
ChemAxon
Rotatable Bond Count
0
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest basic)
6.35
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
445779
PubChem Substance
46506022
ChemSpider
393316
PDB
YF1
"
|
| 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