General Information of the Compound
Compound ID
CP0960296
Compound Name
2-(pyridin-2-yl)pyrimidine-4,6-diol
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Structure
Formula
C9H7N3O2
Molecular Weight
189.174
Canonical SMILES
Oc1cc(O)nc(-c2ccccn2)n1
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InChI
InChI=1S/C9H7N3O2/c13-7-5-8(14)12-9(11-7)6-3-1-2-4-10-6/h1-5H,(H2,11,12,13,14)
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InChIKey
KYJMYKDNPYLJLR-UHFFFAOYSA-N
Physicochemical Property
logP
0.9498
Rotatable Bonds
1
Heavy Atom Count
14
Polar Areas
79.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
14

"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: 22618167
ChEMBL ID
CHEMBL4549011
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: PT06765, Hepcidin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 > 50000 nM
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