General Information of the Compound
Compound ID
CP0866961
Compound Name
4-Methoxy-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylamine
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Structure
Formula
C10H17N5O
Molecular Weight
223.28
Canonical SMILES
COc1cc(N2CCN(C)CC2)nc(N)n1
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InChI
InChI=1S/C10H17N5O/c1-14-3-5-15(6-4-14)8-7-9(16-2)13-10(11)12-8/h7H,3-6H2,1-2H3,(H2,11,12,13)
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InChIKey
VDDOXGRJCNNUMV-UHFFFAOYSA-N
Physicochemical Property
logP
-0.1808
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
67.51
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
16

"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: 25129178
SID: 56453497
ChEMBL ID
CHEMBL494910
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 = 10471.29 nM
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