General Information of the Compound
Compound ID
CP0549615
Compound Name
N-(cyclopropylmethyl)-6-pyridin-2-ylpyrimidin-4-amine
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Structure
Formula
C13H14N4
Molecular Weight
226.283
Canonical SMILES
C(Nc1cc(ncn1)-c1ccccn1)C1CC1
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InChI
InChI=1S/C13H14N4/c1-2-6-14-11(3-1)12-7-13(17-9-16-12)15-8-10-4-5-10/h1-3,6-7,9-10H,4-5,8H2,(H,15,16,17)
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InChIKey
JYQJSCQGOKLUNN-UHFFFAOYSA-N
Physicochemical Property
logP
2.3605
Rotatable Bonds
4
Heavy Atom Count
17
Polar Areas
50.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 118716406
ChEMBL ID
CHEMBL3342363
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: PT05121, G-protein coupled receptor 39
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 10000 nM
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Protein ID: PT03123, G-protein coupled receptor 39
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 22000 nM
   TI
   LI
   LO
   TS