Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03653"
| Predicate | Value (sorted: none) |
|---|---|
| rdf:type | |
| owl:sameAs | |
| rdfs:label |
"5-{[Ethyl(Methyl)Amino]Methyl}-2-Methyl-5,6-Dihydropyrimidin-4-Amine"
|
| drugbank: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
Tertiary Amines
Polyamines
primary aromatic amine
tertiary amine
polyamine
primary amine
amine
organonitrogen compound
logP
0.46
ALOGPS
logS
-1.5
ALOGPS
Water Solubility
5.86e+00 g/l
ALOGPS
logP
0.68
ChemAxon
IUPAC Name
5-{[ethyl(methyl)amino]methyl}-2-methylpyrimidin-4-amine
ChemAxon
Traditional IUPAC Name
5-{[ethyl(methyl)amino]methyl}-2-methylpyrimidin-4-amine
ChemAxon
Molecular Weight
180.2501
ChemAxon
Monoisotopic Weight
180.137496532
ChemAxon
SMILES
CCN(C)CC1=CN=C(C)N=C1N
ChemAxon
Molecular Formula
C9H16N4
ChemAxon
InChI
InChI=1S/C9H16N4/c1-4-13(3)6-8-5-11-7(2)12-9(8)10/h5H,4,6H2,1-3H3,(H2,10,11,12)
ChemAxon
InChIKey
InChIKey=UMZINNCUCWRLDQ-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
55.04
ChemAxon
Refractivity
55.65
ChemAxon
Polarizability
20.49
ChemAxon
Rotatable Bond Count
3
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest basic)
7.78
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
448672
PubChem Substance
46505308
PDB
YF4
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object