General Information of the Compound
Compound ID
CP0880836
Compound Name
4-(2-methoxypyridin-3-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
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Structure
Formula
C15H20N6O
Molecular Weight
300.366
Canonical SMILES
COc1ncccc1-c1cc(N2CCN(C)CC2)nc(N)n1
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InChI
InChI=1S/C15H20N6O/c1-20-6-8-21(9-7-20)13-10-12(18-15(16)19-13)11-4-3-5-17-14(11)22-2/h3-5,10H,6-9H2,1-2H3,(H2,16,18,19)
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InChIKey
YBGJKWMSOQBSDD-UHFFFAOYSA-N
Physicochemical Property
logP
0.8812
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
80.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
22

"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: 25131556
SID: 56455990
ChEMBL ID
CHEMBL507063
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
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 26.92 nM
   TI
   LI
   LO
   TS
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 = 93.33 nM
   TI
   LI
   LO
   TS