Molecular Details
DICL_CP_0309320
- 6-phenylpyrimidin-4-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0309320
PubChem CID
Molecular Formula
C10H9N3 Molecular Weight
171.203 g/mol
Synonyms/Alias
[6-phenylpyrimidin-4-amine; 4-Amino-6-phenylpyrimidine; 3435-29-8; 6-phenyl-4-pyrimidinamine; CHEMBL1770733; MFCD00234634; 4-Pyrimidinamine; 6-phenyl-; 6-amino-4-phenylpyrimidine; 6-phenylpyrimidin-4-...
InChI Key
NYXYYBHDSNBGOS-UHFFFAOYSA-N
InChI
InChI=1S/C10H9N3/c11-10-6-9(12-7-13-10)8-4-2-1-3-5-8/h1-7H,(H2,11,12,13)
IUPAC Name
6-phenylpyrimidin-4-amine
CAS Number
2659241-06-0
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
22 23 0 0 0 0 0 0 0 0999 V2000
-3.4384 -0.5861 -1.3892 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1542 0.7167 -0.9757 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8955 1.028...
Experimental Data
Activity Data
Target Ion Channel
Acid-sensing ion channel 3
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 130000 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.6
Holding Potential
−60 mV mV
Temperature
25–29 °C
Test Method
Patch-clamping
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
13
Rotatable Bonds
1
logP
1.7258
Complexity
51.8804
TPSA (Ų)
51.8
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
2