5-fluoro-3-(thiophene-2-carbonyl)-1H-pyrimidine-2,4-dione

C9H5FN2O3S — CID 139207406

IUPAC5-fluoro-3-(thiophene-2-carbonyl)-1H-pyrimidine-2,4-dione
SMILESO=C(c1cccs1)n1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C9H5FN2O3S/c10-5-4-11-9(15)12(7(5)13)8(14)6-2-1-3-16-6/h1-4H,(H,11,15)
InChIKeyWMWINZOTAWVPPY-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.43
Rot. Bonds1

About 5-fluoro-3-(thiophene-2-carbonyl)-1H-pyrimidine-2,4-dione

5-fluoro-3-(thiophene-2-carbonyl)-1H-pyrimidine-2,4-dione (PubChem CID 139207406) has the molecular formula C9H5FN2O3S and a molecular weight of 240.22 g/mol. Its IUPAC name is 5-fluoro-3-(thiophene-2-carbonyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-3-(thiophene-2-carbonyl)-1H-pyrimidine-2,4-dione
PubChem CID139207406
Molecular FormulaC9H5FN2O3S
Molecular Weight240.22 g/mol
Exact Mass240.00
IUPAC Name5-fluoro-3-(thiophene-2-carbonyl)-1H-pyrimidine-2,4-dione
SMILESO=C(c1cccs1)n1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C9H5FN2O3S/c10-5-4-11-9(15)12(7(5)13)8(14)6-2-1-3-16-6/h1-4H,(H,11,15)
InChIKeyWMWINZOTAWVPPY-UHFFFAOYSA-N
XLogP0.43
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-3-(thiophene-2-carbonyl)-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(thiophene-2-carbonyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-3-(thiophene-2-carbonyl)-1H-pyrimidine-2,4-dione (CID 139207406) is 5-fluoro-3-(thiophene-2-carbonyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-3-(thiophene-2-carbonyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-3-(thiophene-2-carbonyl)-1H-pyrimidine-2,4-dione is O=C(c1cccs1)n1c(=O)[nH]cc(F)c1=O.
What is the InChIKey of 5-fluoro-3-(thiophene-2-carbonyl)-1H-pyrimidine-2,4-dione?
The InChIKey is WMWINZOTAWVPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN2O3S/c10-5-4-11-9(15)12(7(5)13)8(14)6-2-1-3-16-6/h1-4H,(H,11,15).
What are the key properties of 5-fluoro-3-(thiophene-2-carbonyl)-1H-pyrimidine-2,4-dione?
5-fluoro-3-(thiophene-2-carbonyl)-1H-pyrimidine-2,4-dione has a molecular weight of 240.22 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(thiophene-2-carbonyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 139207406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).