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

C8H5ClN2O2S — CID 23648522

IUPAC6-chloro-5-thiophen-2-yl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(Cl)c(-c2cccs2)c(=O)[nH]1
InChIInChI=1S/C8H5ClN2O2S/c9-6-5(4-2-1-3-14-4)7(12)11-8(13)10-6/h1-3H,(H2,10,11,12,13)
InChIKeyDPKZWAVQBQNTIP-UHFFFAOYSA-N
MW228.66 g/mol
LogP1.45
Rot. Bonds1

About 6-chloro-5-thiophen-2-yl-1H-pyrimidine-2,4-dione

6-chloro-5-thiophen-2-yl-1H-pyrimidine-2,4-dione (PubChem CID 23648522) has the molecular formula C8H5ClN2O2S and a molecular weight of 228.66 g/mol. Its IUPAC name is 6-chloro-5-thiophen-2-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-5-thiophen-2-yl-1H-pyrimidine-2,4-dione
PubChem CID23648522
Molecular FormulaC8H5ClN2O2S
Molecular Weight228.66 g/mol
Exact Mass227.98
IUPAC Name6-chloro-5-thiophen-2-yl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(Cl)c(-c2cccs2)c(=O)[nH]1
InChIInChI=1S/C8H5ClN2O2S/c9-6-5(4-2-1-3-14-4)7(12)11-8(13)10-6/h1-3H,(H2,10,11,12,13)
InChIKeyDPKZWAVQBQNTIP-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 6-chloro-5-thiophen-2-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-5-thiophen-2-yl-1H-pyrimidine-2,4-dione (CID 23648522) is 6-chloro-5-thiophen-2-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-5-thiophen-2-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-5-thiophen-2-yl-1H-pyrimidine-2,4-dione is O=c1[nH]c(Cl)c(-c2cccs2)c(=O)[nH]1.
What is the InChIKey of 6-chloro-5-thiophen-2-yl-1H-pyrimidine-2,4-dione?
The InChIKey is DPKZWAVQBQNTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O2S/c9-6-5(4-2-1-3-14-4)7(12)11-8(13)10-6/h1-3H,(H2,10,11,12,13).
What are the key properties of 6-chloro-5-thiophen-2-yl-1H-pyrimidine-2,4-dione?
6-chloro-5-thiophen-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 6-chloro-5-thiophen-2-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 23648522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).