General Information of the Compound
Compound ID
CP0385090
Compound Name
4-hydroxy-2-pentyl-1H-pyrimidin-6-one
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Structure
Formula
C9H14N2O2
Molecular Weight
182.223
Canonical SMILES
CCCCCc1nc(O)cc(O)n1
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InChI
InChI=1S/C9H14N2O2/c1-2-3-4-5-7-10-8(12)6-9(13)11-7/h6H,2-5H2,1H3,(H2,10,11,12,13)
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InChIKey
ICQDTVBLZPUBMJ-UHFFFAOYSA-N
Physicochemical Property
logP
1.6205
Rotatable Bonds
4
Heavy Atom Count
13
Polar Areas
66.24
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
13

"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: 70233802
ChEMBL ID
CHEMBL3828115
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: PT04383, G-protein coupled receptor 84
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 3669 nM
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