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

C8H6N2OS — CID 3041902

IUPAC5-thiophen-2-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1-c1cccs1
InChIInChI=1S/C8H6N2OS/c11-8-6(4-9-5-10-8)7-2-1-3-12-7/h1-5H,(H,9,10,11)
InChIKeyWFDUTZFILXSXNT-UHFFFAOYSA-N
MW178.22 g/mol
LogP1.50
Rot. Bonds1

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

5-thiophen-2-yl-1H-pyrimidin-6-one (PubChem CID 3041902) has the molecular formula C8H6N2OS and a molecular weight of 178.22 g/mol. Its IUPAC name is 5-thiophen-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-thiophen-2-yl-1H-pyrimidin-6-one
PubChem CID3041902
Molecular FormulaC8H6N2OS
Molecular Weight178.22 g/mol
Exact Mass178.02
IUPAC Name5-thiophen-2-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1-c1cccs1
InChIInChI=1S/C8H6N2OS/c11-8-6(4-9-5-10-8)7-2-1-3-12-7/h1-5H,(H,9,10,11)
InChIKeyWFDUTZFILXSXNT-UHFFFAOYSA-N
XLogP1.50
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-thiophen-2-yl-1H-pyrimidin-6-one (CID 3041902) is 5-thiophen-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-thiophen-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-thiophen-2-yl-1H-pyrimidin-6-one is O=c1[nH]cncc1-c1cccs1.
What is the InChIKey of 5-thiophen-2-yl-1H-pyrimidin-6-one?
The InChIKey is WFDUTZFILXSXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2OS/c11-8-6(4-9-5-10-8)7-2-1-3-12-7/h1-5H,(H,9,10,11).
What are the key properties of 5-thiophen-2-yl-1H-pyrimidin-6-one?
5-thiophen-2-yl-1H-pyrimidin-6-one has a molecular weight of 178.22 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 3041902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).