General Information of the Compound
Compound ID
CP0571133
Compound Name
4-N-(3-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine
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Structure
Formula
C15H15ClN6
Molecular Weight
314.78
Canonical SMILES
Cc1cc(C)n(n1)-c1cc(Nc2cccc(Cl)c2)nc(N)n1
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InChI
InChI=1S/C15H15ClN6/c1-9-6-10(2)22(21-9)14-8-13(19-15(17)20-14)18-12-5-3-4-11(16)7-12/h3-8H,1-2H3,(H3,17,18,19,20)
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InChIKey
WKORTUOTAZLKMS-UHFFFAOYSA-N
Physicochemical Property
logP
3.25834
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
81.65
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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: 166635038
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: PT06093, Small conductance calcium-activated potassium channel protein 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 100000 nM
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