5-(5-chlorothiophen-2-yl)-1H-pyrimidine-2,4-dione

C8H5ClN2O2S — CID 23370803

IUPAC5-(5-chlorothiophen-2-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2ccc(Cl)s2)c(=O)[nH]1
InChIInChI=1S/C8H5ClN2O2S/c9-6-2-1-5(14-6)4-3-10-8(13)11-7(4)12/h1-3H,(H2,10,11,12,13)
InChIKeyAYGSALWNFRNMCJ-UHFFFAOYSA-N
MW228.66 g/mol
LogP1.45
Rot. Bonds1

About 5-(5-chlorothiophen-2-yl)-1H-pyrimidine-2,4-dione

5-(5-chlorothiophen-2-yl)-1H-pyrimidine-2,4-dione (PubChem CID 23370803) has the molecular formula C8H5ClN2O2S and a molecular weight of 228.66 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-1H-pyrimidine-2,4-dione
PubChem CID23370803
Molecular FormulaC8H5ClN2O2S
Molecular Weight228.66 g/mol
Exact Mass227.98
IUPAC Name5-(5-chlorothiophen-2-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2ccc(Cl)s2)c(=O)[nH]1
InChIInChI=1S/C8H5ClN2O2S/c9-6-2-1-5(14-6)4-3-10-8(13)11-7(4)12/h1-3H,(H2,10,11,12,13)
InChIKeyAYGSALWNFRNMCJ-UHFFFAOYSA-N
XLogP1.45
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.66
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-1H-pyrimidine-2,4-dione (CID 23370803) is 5-(5-chlorothiophen-2-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2ccc(Cl)s2)c(=O)[nH]1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is AYGSALWNFRNMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O2S/c9-6-2-1-5(14-6)4-3-10-8(13)11-7(4)12/h1-3H,(H2,10,11,12,13).
What are the key properties of 5-(5-chlorothiophen-2-yl)-1H-pyrimidine-2,4-dione?
5-(5-chlorothiophen-2-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 228.66 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 23370803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).