General Information of the Compound
Compound ID
CP0002514
Compound Name
6-morpholin-4-yl-N,N-bis(pyridin-2-ylmethyl)pyrimidin-4-amine
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Structure
Formula
C20H22N6O
Molecular Weight
362.437
Canonical SMILES
C(N(Cc1ccccn1)c1cc(ncn1)N1CCOCC1)c1ccccn1
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InChI
InChI=1S/C20H22N6O/c1-3-7-21-17(5-1)14-26(15-18-6-2-4-8-22-18)20-13-19(23-16-24-20)25-9-11-27-12-10-25/h1-8,13,16H,9-12,14-15H2
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InChIKey
UIUGVHDYDGPCNZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.31
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
67.27
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
27

"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).

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PubChem ID
CID: 155563200
ChEMBL ID
CHEMBL4571915
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: PT01846, Neuronal acetylcholine receptor subunit alpha-7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 13300 nM
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