General Information of the Compound
Compound ID
CP0170827
Compound Name
4-(1H-imidazol-2-yl)-N,N-dimethylthieno[3,2-d]pyrimidin-2-amine
    Show/Hide
Structure
Formula
C11H11N5S
Molecular Weight
245.311
Canonical SMILES
CN(C)c1nc(-c2ncc[nH]2)c2sccc2n1
    Show/Hide
InChI
InChI=1S/C11H11N5S/c1-16(2)11-14-7-3-6-17-9(7)8(15-11)10-12-4-5-13-10/h3-6H,1-2H3,(H,12,13)
    Show/Hide
InChIKey
XFROMHAKVQVKQX-UHFFFAOYSA-N
Physicochemical Property
logP
2.1474
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
57.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
17

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44449598
ChEMBL ID
CHEMBL408146
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00862, Adenosine receptor A2a
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 299 nM