3-cyclopentyl-5-hydroxy-2-thiophen-2-yl-4,5-dihydropyrimidin-6-one

C13H16N2O2S — CID 123833852

IUPAC3-cyclopentyl-5-hydroxy-2-thiophen-2-yl-4,5-dihydropyrimidin-6-one
SMILESO=C1N=C(c2cccs2)N(C2CCCC2)CC1O
InChIInChI=1S/C13H16N2O2S/c16-10-8-15(9-4-1-2-5-9)12(14-13(10)17)11-6-3-7-18-11/h3,6-7,9-10,16H,1-2,4-5,8H2
InChIKeyRJZJXADPEUWLIO-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.64
Rot. Bonds2

About 3-cyclopentyl-5-hydroxy-2-thiophen-2-yl-4,5-dihydropyrimidin-6-one

3-cyclopentyl-5-hydroxy-2-thiophen-2-yl-4,5-dihydropyrimidin-6-one (PubChem CID 123833852) 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-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name3-cyclopentyl-5-hydroxy-2-thiophen-2-yl-4,5-dihydropyrimidin-6-one
PubChem CID123833852
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name3-cyclopentyl-5-hydroxy-2-thiophen-2-yl-4,5-dihydropyrimidin-6-one
SMILESO=C1N=C(c2cccs2)N(C2CCCC2)CC1O
InChIInChI=1S/C13H16N2O2S/c16-10-8-15(9-4-1-2-5-9)12(14-13(10)17)11-6-3-7-18-11/h3,6-7,9-10,16H,1-2,4-5,8H2
InChIKeyRJZJXADPEUWLIO-UHFFFAOYSA-N
XLogP1.64
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-hydroxy-2-thiophen-2-yl-4,5-dihydropyrimidin-6-one?
The IUPAC name of 3-cyclopentyl-5-hydroxy-2-thiophen-2-yl-4,5-dihydropyrimidin-6-one (CID 123833852) is 3-cyclopentyl-5-hydroxy-2-thiophen-2-yl-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 3-cyclopentyl-5-hydroxy-2-thiophen-2-yl-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 3-cyclopentyl-5-hydroxy-2-thiophen-2-yl-4,5-dihydropyrimidin-6-one is O=C1N=C(c2cccs2)N(C2CCCC2)CC1O.
What is the InChIKey of 3-cyclopentyl-5-hydroxy-2-thiophen-2-yl-4,5-dihydropyrimidin-6-one?
The InChIKey is RJZJXADPEUWLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c16-10-8-15(9-4-1-2-5-9)12(14-13(10)17)11-6-3-7-18-11/h3,6-7,9-10,16H,1-2,4-5,8H2.
What are the key properties of 3-cyclopentyl-5-hydroxy-2-thiophen-2-yl-4,5-dihydropyrimidin-6-one?
3-cyclopentyl-5-hydroxy-2-thiophen-2-yl-4,5-dihydropyrimidin-6-one has a molecular weight of 264.35 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 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-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 123833852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).