General Information of the Compound
Compound ID
CP0896347
Compound Name
N4,N4-Dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
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Structure
Formula
C11H20N6
Molecular Weight
236.323
Canonical SMILES
CN1CCN(c2cc(N(C)C)nc(N)n2)CC1
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InChI
InChI=1S/C11H20N6/c1-15(2)9-8-10(14-11(12)13-9)17-6-4-16(3)5-7-17/h8H,4-7H2,1-3H3,(H2,12,13,14)
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InChIKey
XDZWHHLMPCEUIV-UHFFFAOYSA-N
Physicochemical Property
logP
-0.1234
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
61.52
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
17

"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: 25130911
SID: 56455289
ChEMBL ID
CHEMBL485802
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 = 3019.95 nM
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