1-ethyl-5-hydroxy-6-oxo-2-thiophen-2-ylpyrimidine-4-carboxylic acid

C11H10N2O4S — CID 68881876

IUPAC1-ethyl-5-hydroxy-6-oxo-2-thiophen-2-ylpyrimidine-4-carboxylic acid
SMILESCCn1c(-c2cccs2)nc(C(=O)O)c(O)c1=O
InChIInChI=1S/C11H10N2O4S/c1-2-13-9(6-4-3-5-18-6)12-7(11(16)17)8(14)10(13)15/h3-5,14H,2H2,1H3,(H,16,17)
InChIKeyBTMYMIOEDRUBPH-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.40
Rot. Bonds3

About 1-ethyl-5-hydroxy-6-oxo-2-thiophen-2-ylpyrimidine-4-carboxylic acid

1-ethyl-5-hydroxy-6-oxo-2-thiophen-2-ylpyrimidine-4-carboxylic acid (PubChem CID 68881876) has the molecular formula C11H10N2O4S and a molecular weight of 266.28 g/mol. Its IUPAC name is 1-ethyl-5-hydroxy-6-oxo-2-thiophen-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-5-hydroxy-6-oxo-2-thiophen-2-ylpyrimidine-4-carboxylic acid
PubChem CID68881876
Molecular FormulaC11H10N2O4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Name1-ethyl-5-hydroxy-6-oxo-2-thiophen-2-ylpyrimidine-4-carboxylic acid
SMILESCCn1c(-c2cccs2)nc(C(=O)O)c(O)c1=O
InChIInChI=1S/C11H10N2O4S/c1-2-13-9(6-4-3-5-18-6)12-7(11(16)17)8(14)10(13)15/h3-5,14H,2H2,1H3,(H,16,17)
InChIKeyBTMYMIOEDRUBPH-UHFFFAOYSA-N
XLogP1.40
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-Hydroxy-1-methyl-6-oxo-2-(2-thienyl)pyrimidine-4-carboxylic acid
CID 54727893
5,6-Dihydroxy-2-thiophen-2-yl-pyrimidine-4-carboxylic acid
CID 135433415
5,6-Dihydroxy-2-(2-thienyl)pyrimidine-4-carboxamide
CID 135446332
5,6-Dihydroxy-2-thiophen-2-yl-pyrimidine-4-carboxylic acid methyl ester
CID 135446971
5,6-dihydroxy-2-(2-thienyl)-N-(2-thienylmethyl)pyrimidine-4-carboxamide
CID 135971583
5-hydroxy-N-methyl-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 136094876
5-hydroxy-N-(2-hydroxyethyl)-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 136094878
N-butan-2-yl-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 136094880
5-hydroxy-N-(3-methylbutyl)-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 136094881
N-(2-acetamidoethyl)-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 136094882
5-Hydroxy-1-methyl-2-(3-nitro-2-thienyl)-6-oxo-pyrimidine-4-carboxylic acid
CID 54717319
5,6-Dihydroxy-2-(3-methyl-2-thienyl)pyrimidine-4-carboxylic acid
CID 135434570

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-hydroxy-6-oxo-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 1-ethyl-5-hydroxy-6-oxo-2-thiophen-2-ylpyrimidine-4-carboxylic acid (CID 68881876) is 1-ethyl-5-hydroxy-6-oxo-2-thiophen-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 1-ethyl-5-hydroxy-6-oxo-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 1-ethyl-5-hydroxy-6-oxo-2-thiophen-2-ylpyrimidine-4-carboxylic acid is CCn1c(-c2cccs2)nc(C(=O)O)c(O)c1=O.
What is the InChIKey of 1-ethyl-5-hydroxy-6-oxo-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is BTMYMIOEDRUBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S/c1-2-13-9(6-4-3-5-18-6)12-7(11(16)17)8(14)10(13)15/h3-5,14H,2H2,1H3,(H,16,17).
What are the key properties of 1-ethyl-5-hydroxy-6-oxo-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
1-ethyl-5-hydroxy-6-oxo-2-thiophen-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 266.28 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-hydroxy-6-oxo-2-thiophen-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 68881876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).