General Information of the Compound
Compound ID
CP0292394
Compound Name
4-(piperazin-1-yl)-6-(pyrrolidin-1-yl)pyrimidin-2-amine
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Structure
Formula
C12H20N6
Molecular Weight
248.334
Canonical SMILES
Nc1nc(cc(n1)N1CCNCC1)N1CCCC1
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InChI
InChI=1S/C12H20N6/c13-12-15-10(17-5-1-2-6-17)9-11(16-12)18-7-3-14-4-8-18/h9,14H,1-8H2,(H2,13,15,16)
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InChIKey
QSIPBARBLQUACT-UHFFFAOYSA-N
Physicochemical Property
logP
0.0686
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
70.31
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
18

"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: 54580746
ChEMBL ID
CHEMBL1770160
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
CL000074 SK-N-MC Homo sapiens (Human)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 8 nM