3-cyclopentyl-5-hydroxy-2-thiophen-2-yl-1,2-dihydropyrimidin-4-one

C13H16N2O2S — CID 70978151

IUPAC3-cyclopentyl-5-hydroxy-2-thiophen-2-yl-1,2-dihydropyrimidin-4-one
SMILESO=C1C(O)=CNC(c2cccs2)N1C1CCCC1
InChIInChI=1S/C13H16N2O2S/c16-10-8-14-12(11-6-3-7-18-11)15(13(10)17)9-4-1-2-5-9/h3,6-9,12,14,16H,1-2,4-5H2
InChIKeyOJNHGQIQRIUXTB-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.52
Rot. Bonds2

About 3-cyclopentyl-5-hydroxy-2-thiophen-2-yl-1,2-dihydropyrimidin-4-one

3-cyclopentyl-5-hydroxy-2-thiophen-2-yl-1,2-dihydropyrimidin-4-one (PubChem CID 70978151) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-cyclopentyl-5-hydroxy-2-thiophen-2-yl-1,2-dihydropyrimidin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-5-hydroxy-2-thiophen-2-yl-1,2-dihydropyrimidin-4-one
PubChem CID70978151
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name3-cyclopentyl-5-hydroxy-2-thiophen-2-yl-1,2-dihydropyrimidin-4-one
SMILESO=C1C(O)=CNC(c2cccs2)N1C1CCCC1
InChIInChI=1S/C13H16N2O2S/c16-10-8-14-12(11-6-3-7-18-11)15(13(10)17)9-4-1-2-5-9/h3,6-9,12,14,16H,1-2,4-5H2
InChIKeyOJNHGQIQRIUXTB-UHFFFAOYSA-N
XLogP2.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 83243098
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CID 70978871
(2S)-3-cyclopropyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
CID 9008862
3-(1,1-dioxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 83244118
3-cyclohexyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83242357
3-cyclohexyl-5-ethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83242536
3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 83264573
3-(1-oxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 113480754
3-(2-methylcycloheptyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83258933
3-(3-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83258963
(4Z)-1-cyclohexyl-4-[hydroxy(1H-indol-3-yl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 108623897
5-cyclopentyl-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856064

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-hydroxy-2-thiophen-2-yl-1,2-dihydropyrimidin-4-one?
The IUPAC name of 3-cyclopentyl-5-hydroxy-2-thiophen-2-yl-1,2-dihydropyrimidin-4-one (CID 70978151) is 3-cyclopentyl-5-hydroxy-2-thiophen-2-yl-1,2-dihydropyrimidin-4-one.
What is the SMILES notation for 3-cyclopentyl-5-hydroxy-2-thiophen-2-yl-1,2-dihydropyrimidin-4-one?
The canonical SMILES for 3-cyclopentyl-5-hydroxy-2-thiophen-2-yl-1,2-dihydropyrimidin-4-one is O=C1C(O)=CNC(c2cccs2)N1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-5-hydroxy-2-thiophen-2-yl-1,2-dihydropyrimidin-4-one?
The InChIKey is OJNHGQIQRIUXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c16-10-8-14-12(11-6-3-7-18-11)15(13(10)17)9-4-1-2-5-9/h3,6-9,12,14,16H,1-2,4-5H2.
What are the key properties of 3-cyclopentyl-5-hydroxy-2-thiophen-2-yl-1,2-dihydropyrimidin-4-one?
3-cyclopentyl-5-hydroxy-2-thiophen-2-yl-1,2-dihydropyrimidin-4-one has a molecular weight of 264.35 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-hydroxy-2-thiophen-2-yl-1,2-dihydropyrimidin-4-one is sourced from PubChem (CID 70978151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).