General Information of the Compound
Compound ID
CP0380770
Compound Name
6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
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Structure
Formula
C18H18N4
Molecular Weight
290.37
Canonical SMILES
Cc1cc(NCCc2ccccc2)nc(n1)-c1ccccn1
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InChI
InChI=1S/C18H18N4/c1-14-13-17(20-12-10-15-7-3-2-4-8-15)22-18(21-14)16-9-5-6-11-19-16/h2-9,11,13H,10,12H2,1H3,(H,20,21,22)
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InChIKey
YGGMFDADXKMNSI-UHFFFAOYSA-N
Physicochemical Property
logP
3.50162
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
50.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 44590979
ChEMBL ID
CHEMBL454036
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