General Information of the Compound
Compound ID
CP0896311
Compound Name
2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-ol
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Structure
Formula
C9H15N5O
Molecular Weight
209.253
Canonical SMILES
CN1CCN(c2cc(O)nc(N)n2)CC1
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InChI
InChI=1S/C9H15N5O/c1-13-2-4-14(5-3-13)7-6-8(15)12-9(10)11-7/h6H,2-5H2,1H3,(H3,10,11,12,15)
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InChIKey
QLCJOXZPNHPFTJ-UHFFFAOYSA-N
Physicochemical Property
logP
-0.4838
Rotatable Bonds
1
Heavy Atom Count
15
Polar Areas
78.51
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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: 135897837
SID: 56455287
ChEMBL ID
CHEMBL494909
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 = 1479.11 nM
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