General Information of the Compound
Compound ID
CP0505945
Compound Name
N-(3,3-dimethylbutyl)-6-piperazin-1-ylpyrimidin-4-amine
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Structure
Formula
C14H25N5
Molecular Weight
263.389
Canonical SMILES
CC(C)(C)CCNc1cc(ncn1)N1CCNCC1
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InChI
InChI=1S/C14H25N5/c1-14(2,3)4-5-16-12-10-13(18-11-17-12)19-8-6-15-7-9-19/h10-11,15H,4-9H2,1-3H3,(H,16,17,18)
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InChIKey
KKIURXWIHOQZCK-UHFFFAOYSA-N
Physicochemical Property
logP
1.7343
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
53.08
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
19

"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: 57394628
ChEMBL ID
CHEMBL1916500
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: PT01711, Histamine H4 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 201 nM
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