General Information of the Compound
Compound ID
CP0896308
Compound Name
N4,N4-Diethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
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Structure
Formula
C13H24N6
Molecular Weight
264.377
Canonical SMILES
CCN(CC)c1cc(N2CCN(C)CC2)nc(N)n1
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InChI
InChI=1S/C13H24N6/c1-4-18(5-2)11-10-12(16-13(14)15-11)19-8-6-17(3)7-9-19/h10H,4-9H2,1-3H3,(H2,14,15,16)
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InChIKey
BWEFMDLNLUWTEB-UHFFFAOYSA-N
Physicochemical Property
logP
0.6568
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
61.52
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 25129180
SID: 56453499
ChEMBL ID
CHEMBL492662
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 = 354.81 nM
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