Molecular Details
DICL_CP_0312734
- 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0312734
PubChem CID
Molecular Formula
C9H15N5O Molecular Weight
209.253 g/mol
Synonyms/Alias
[minoxidil; 38304-91-5; Rogaine; Loniten; Minoximen; Regaine; Theroxidil; Alopexil; Alostil; Tricoxidil; Lonolox; Normoxidil; Prexidil; Minodyl; Pierminox; RiUP; Mintop; 2;4-Pyrimidinediamine; 6-(1-pi...
InChI Key
ZIMGGGWCDYVHOY-UHFFFAOYSA-N
InChI
InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6,11,15H,1-5,10H2
IUPAC Name
3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine
CAS Number
38304-91-5
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
30 31 0 0 0 0 0 0 0 0999 V2000
3.7382 -0.1469 -0.2646 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8217 -0.8213 -1.2981 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -1.110...
Experimental Data
Activity Data
Target Ion Channel
Inwardly rectifying subfamily J member 13
Uniprot Accession Number
Function
Inactive
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
No effect
Experimental Conditions
pH
pH 7.4
Holding Potential
−40 mV mV
Temperature
25 °C
Test Method
Patch-clamping
Test Species
Guinea pig
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
15
Rotatable Bonds
1
logP
0.1724
Complexity
55.7426
TPSA (Ų)
91.16
H-Bond Donors
3
H-Bond Acceptors
6
Ring Count
2