General Information of the Compound
Compound ID
CP0503091
Compound Name
6-N,6-N-dimethyl-4-N-pentan-2-ylpyrido[3,4-d]pyrimidine-4,6-diamine
    Show/Hide
Structure
Formula
C14H21N5
Molecular Weight
259.357
Canonical SMILES
CCCC(C)Nc1ncnc2cnc(cc12)N(C)C
    Show/Hide
InChI
InChI=1S/C14H21N5/c1-5-6-10(2)18-14-11-7-13(19(3)4)15-8-12(11)16-9-17-14/h7-10H,5-6H2,1-4H3,(H,16,17,18)
    Show/Hide
InChIKey
ITXSJSUWVPCLHX-UHFFFAOYSA-N
Physicochemical Property
logP
2.6913
Rotatable Bonds
5
Heavy Atom Count
19
Polar Areas
53.94
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
19

"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: 44592519
ChEMBL ID
CHEMBL525546
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: PT02444, Metabotropic glutamate receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 858 nM
   TI
   LI
   LO
   TS