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

C8H6N2O2S — CID 69134245

IUPAC3-thiophen-2-yl-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1-c1cccs1
InChIInChI=1S/C8H6N2O2S/c11-6-3-4-9-8(12)10(6)7-2-1-5-13-7/h1-5H,(H,9,12)
InChIKeyLQTFSUSEJSOLQB-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.59
Rot. Bonds1

About 3-thiophen-2-yl-1H-pyrimidine-2,4-dione

3-thiophen-2-yl-1H-pyrimidine-2,4-dione (PubChem CID 69134245) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is 3-thiophen-2-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-thiophen-2-yl-1H-pyrimidine-2,4-dione
PubChem CID69134245
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Name3-thiophen-2-yl-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1-c1cccs1
InChIInChI=1S/C8H6N2O2S/c11-6-3-4-9-8(12)10(6)7-2-1-5-13-7/h1-5H,(H,9,12)
InChIKeyLQTFSUSEJSOLQB-UHFFFAOYSA-N
XLogP0.59
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-thiophen-2-yl-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 3-thiophen-2-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-thiophen-2-yl-1H-pyrimidine-2,4-dione (CID 69134245) is 3-thiophen-2-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-thiophen-2-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-thiophen-2-yl-1H-pyrimidine-2,4-dione is O=c1cc[nH]c(=O)n1-c1cccs1.
What is the InChIKey of 3-thiophen-2-yl-1H-pyrimidine-2,4-dione?
The InChIKey is LQTFSUSEJSOLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c11-6-3-4-9-8(12)10(6)7-2-1-5-13-7/h1-5H,(H,9,12).
What are the key properties of 3-thiophen-2-yl-1H-pyrimidine-2,4-dione?
3-thiophen-2-yl-1H-pyrimidine-2,4-dione has a molecular weight of 194.22 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 69134245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).