General Information of the Compound
Compound ID
CP0484587
Compound Name
6-[[(E)-hex-2-enyl]amino]-1H-pyrimidine-2,4-dione
    Show/Hide
Structure
Formula
C10H15N3O2
Molecular Weight
209.249
Canonical SMILES
CCC\C=C\CNc1cc(=O)[nH]c(=O)[nH]1
    Show/Hide
InChI
InChI=1S/C10H15N3O2/c1-2-3-4-5-6-11-8-7-9(14)13-10(15)12-8/h4-5,7H,2-3,6H2,1H3,(H3,11,12,13,14,15)/b5-4+
    Show/Hide
InChIKey
RLPHIWZELLJULI-SNAWJCMRSA-N
Physicochemical Property
logP
0.8314
Rotatable Bonds
5
Heavy Atom Count
15
Polar Areas
77.75
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
15

"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: 155551005
ChEMBL ID
CHEMBL4541166
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 = 37.4 nM
   TI
   LI
   LO
   TS