5-thiophen-2-yl-1H-pyrimidine-2,4-dione

C8H6N2O2S — CID 819096

IUPAC5-thiophen-2-yl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cccs2)c(=O)[nH]1
InChIInChI=1S/C8H6N2O2S/c11-7-5(4-9-8(12)10-7)6-2-1-3-13-6/h1-4H,(H2,9,10,11,12)
InChIKeyOHBAGBGPGLLGCP-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.79
Rot. Bonds1

About 5-thiophen-2-yl-1H-pyrimidine-2,4-dione

5-thiophen-2-yl-1H-pyrimidine-2,4-dione (PubChem CID 819096) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is 5-thiophen-2-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-thiophen-2-yl-1H-pyrimidine-2,4-dione
PubChem CID819096
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Name5-thiophen-2-yl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cccs2)c(=O)[nH]1
InChIInChI=1S/C8H6N2O2S/c11-7-5(4-9-8(12)10-7)6-2-1-3-13-6/h1-4H,(H2,9,10,11,12)
InChIKeyOHBAGBGPGLLGCP-UHFFFAOYSA-N
XLogP0.79
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-thiophen-2-yl-1H-pyrimidine-2,4-dione (CID 819096) is 5-thiophen-2-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-thiophen-2-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-thiophen-2-yl-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cccs2)c(=O)[nH]1.
What is the InChIKey of 5-thiophen-2-yl-1H-pyrimidine-2,4-dione?
The InChIKey is OHBAGBGPGLLGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c11-7-5(4-9-8(12)10-7)6-2-1-3-13-6/h1-4H,(H2,9,10,11,12).
What are the key properties of 5-thiophen-2-yl-1H-pyrimidine-2,4-dione?
5-thiophen-2-yl-1H-pyrimidine-2,4-dione has a molecular weight of 194.22 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 819096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).