General Information of the Compound
Compound ID
CP0887445
Compound Name
4-(4-aminophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
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Structure
Formula
C15H20N6
Molecular Weight
284.367
Canonical SMILES
CN1CCN(c2cc(-c3ccc(N)cc3)nc(N)n2)CC1
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InChI
InChI=1S/C15H20N6/c1-20-6-8-21(9-7-20)14-10-13(18-15(17)19-14)11-2-4-12(16)5-3-11/h2-5,10H,6-9,16H2,1H3,(H2,17,18,19)
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InChIKey
ZMFUYCYJYQXJBF-UHFFFAOYSA-N
Physicochemical Property
logP
1.0598
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
84.3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
21

"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: 76311195
ChEMBL ID
CHEMBL3133130
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
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 5.012 nM
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