General Information of the Compound
Compound ID
CP0919099
Compound Name
5-Methyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-ylamine
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Structure
Formula
C10H17N5
Molecular Weight
207.281
Canonical SMILES
Cc1cnc(N)nc1N1CCN(C)CC1
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InChI
InChI=1S/C10H17N5/c1-8-7-12-10(11)13-9(8)15-5-3-14(2)4-6-15/h7H,3-6H2,1-2H3,(H2,11,12,13)
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InChIKey
AOQGVDIPBIEREW-UHFFFAOYSA-N
Physicochemical Property
logP
0.11902
Rotatable Bonds
1
Heavy Atom Count
15
Polar Areas
58.28
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
15

"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: 25130908
SID: 56455285
ChEMBL ID
CHEMBL446896
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 = 66.07 nM
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