General Information of the Compound
Compound ID
CP0559151
Compound Name
5,6-dimethyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
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Structure
Formula
C19H20N4
Molecular Weight
304.397
Canonical SMILES
Cc1nc(nc(NCCc2ccccc2)c1C)-c1ccccn1
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InChI
InChI=1S/C19H20N4/c1-14-15(2)22-19(17-10-6-7-12-20-17)23-18(14)21-13-11-16-8-4-3-5-9-16/h3-10,12H,11,13H2,1-2H3,(H,21,22,23)
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InChIKey
ZEODBGLFVGZFRX-UHFFFAOYSA-N
Physicochemical Property
logP
3.81004
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
50.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 56563890
ChEMBL ID
CHEMBL2392765
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: PT00973, Methionine aminopeptidase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS