General Information of the Compound
Compound ID
CP0541414
Compound Name
4-(naphthalen-2-yl)pyrimidin-2-amine
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Structure
Formula
C14H11N3
Molecular Weight
221.263
Canonical SMILES
Nc1nccc(n1)-c1ccc2ccccc2c1
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InChI
InChI=1S/C14H11N3/c15-14-16-8-7-13(17-14)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H,(H2,15,16,17)
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InChIKey
RZDBPKYQNYGDPH-UHFFFAOYSA-N
Physicochemical Property
logP
2.879
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
51.8
Hydrogen Bond Donor Count
1
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).

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PubChem ID
CID: 25239622
ChEMBL ID
CHEMBL1209595
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: PT02199, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 > 30000 nM
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