General Information of the Compound
Compound ID
CP0484586
Compound Name
N-hexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
    Show/Hide
Structure
Formula
C11H17N3O3
Molecular Weight
239.275
Canonical SMILES
CCCCCCNC(=O)c1cc(=O)[nH]c(=O)[nH]1
    Show/Hide
InChI
InChI=1S/C11H17N3O3/c1-2-3-4-5-6-12-10(16)8-7-9(15)14-11(17)13-8/h7H,2-6H2,1H3,(H,12,16)(H2,13,14,15,17)
    Show/Hide
InChIKey
JVRQQYDFKWIOKD-UHFFFAOYSA-N
Physicochemical Property
logP
0.3733
Rotatable Bonds
6
Heavy Atom Count
17
Polar Areas
94.82
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
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: 21204487
ChEMBL ID
CHEMBL4518826
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: PT04383, G-protein coupled receptor 84
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 469 nM
   TI
   LI
   LO
   TS