General Information of the Compound
Compound ID
CP0383601
Compound Name
5-[5-(imidazol-1-ylmethyl)pyridin-2-yl]pyrimidine
    Show/Hide
Structure
Formula
C13H11N5
Molecular Weight
237.266
Canonical SMILES
C(c1ccc(nc1)-c1cncnc1)n1ccnc1
    Show/Hide
InChI
InChI=1S/C13H11N5/c1-2-13(12-6-15-9-16-7-12)17-5-11(1)8-18-4-3-14-10-18/h1-7,9-10H,8H2
    Show/Hide
InChIKey
KYMVEIFESFPIQQ-UHFFFAOYSA-N
Physicochemical Property
logP
1.7834
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
56.49
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
18

"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: 67516179
ChEMBL ID
CHEMBL2011258
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: PT03119, Cytochrome P450 11B1, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000170 V79MZ Cricetulus griseus (Chinese hamster)  1
1
IC50 = 971 nM
   TI
   LI
   LO
   TS