5-hydroxy-2-thiophen-2-yl-1H-pyrimidin-6-one

C8H6N2O2S — CID 118736598

IUPAC5-hydroxy-2-thiophen-2-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cccs2)ncc1O
InChIInChI=1S/C8H6N2O2S/c11-5-4-9-7(10-8(5)12)6-2-1-3-13-6/h1-4,11H,(H,9,10,12)
InChIKeyCNUHCLHSRVNQAG-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.20
Rot. Bonds1

About 5-hydroxy-2-thiophen-2-yl-1H-pyrimidin-6-one

5-hydroxy-2-thiophen-2-yl-1H-pyrimidin-6-one (PubChem CID 118736598) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is 5-hydroxy-2-thiophen-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-hydroxy-2-thiophen-2-yl-1H-pyrimidin-6-one
PubChem CID118736598
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Name5-hydroxy-2-thiophen-2-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cccs2)ncc1O
InChIInChI=1S/C8H6N2O2S/c11-5-4-9-7(10-8(5)12)6-2-1-3-13-6/h1-4,11H,(H,9,10,12)
InChIKeyCNUHCLHSRVNQAG-UHFFFAOYSA-N
XLogP1.20
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-thiophen-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-hydroxy-2-thiophen-2-yl-1H-pyrimidin-6-one (CID 118736598) is 5-hydroxy-2-thiophen-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-hydroxy-2-thiophen-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-hydroxy-2-thiophen-2-yl-1H-pyrimidin-6-one is O=c1[nH]c(-c2cccs2)ncc1O.
What is the InChIKey of 5-hydroxy-2-thiophen-2-yl-1H-pyrimidin-6-one?
The InChIKey is CNUHCLHSRVNQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c11-5-4-9-7(10-8(5)12)6-2-1-3-13-6/h1-4,11H,(H,9,10,12).
What are the key properties of 5-hydroxy-2-thiophen-2-yl-1H-pyrimidin-6-one?
5-hydroxy-2-thiophen-2-yl-1H-pyrimidin-6-one has a molecular weight of 194.22 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-thiophen-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 118736598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).