General Information of the Compound
Compound ID
CP0858872
Compound Name
4-tert-Butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-ylamine
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Structure
Formula
C14H25N5
Molecular Weight
263.389
Canonical SMILES
CCN1CCN(c2cc(C(C)(C)C)nc(N)n2)CC1
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InChI
InChI=1S/C14H25N5/c1-5-18-6-8-19(9-7-18)12-10-11(14(2,3)4)16-13(15)17-12/h10H,5-9H2,1-4H3,(H2,15,16,17)
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InChIKey
GHFPIOBFRSDFOH-UHFFFAOYSA-N
Physicochemical Property
logP
1.4982
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
58.28
Hydrogen Bond Donor Count
1
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: 25128826
SID: 56453126
ChEMBL ID
CHEMBL506187
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: PT02519, Histamine H4 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 245.47 nM
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