2-(3-acetamidothiophen-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid

C11H9N3O5S — CID 135434563

IUPAC2-(3-acetamidothiophen-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCC(=O)Nc1ccsc1-c1nc(C(=O)O)c(O)c(=O)[nH]1
InChIInChI=1S/C11H9N3O5S/c1-4(15)12-5-2-3-20-8(5)9-13-6(11(18)19)7(16)10(17)14-9/h2-3,16H,1H3,(H,12,15)(H,18,19)(H,13,14,17)
InChIKeyGTFRBFIEGKUCTA-UHFFFAOYSA-N
MW295.28 g/mol
LogP0.86
Rot. Bonds3

About 2-(3-acetamidothiophen-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid

2-(3-acetamidothiophen-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 135434563) has the molecular formula C11H9N3O5S and a molecular weight of 295.28 g/mol. Its IUPAC name is 2-(3-acetamidothiophen-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-acetamidothiophen-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID135434563
Molecular FormulaC11H9N3O5S
Molecular Weight295.28 g/mol
Exact Mass295.03
IUPAC Name2-(3-acetamidothiophen-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCC(=O)Nc1ccsc1-c1nc(C(=O)O)c(O)c(=O)[nH]1
InChIInChI=1S/C11H9N3O5S/c1-4(15)12-5-2-3-20-8(5)9-13-6(11(18)19)7(16)10(17)14-9/h2-3,16H,1H3,(H,12,15)(H,18,19)(H,13,14,17)
InChIKeyGTFRBFIEGKUCTA-UHFFFAOYSA-N
XLogP0.86
TPSA132.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 50.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidothiophen-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(3-acetamidothiophen-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid (CID 135434563) is 2-(3-acetamidothiophen-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(3-acetamidothiophen-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(3-acetamidothiophen-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid is CC(=O)Nc1ccsc1-c1nc(C(=O)O)c(O)c(=O)[nH]1.
What is the InChIKey of 2-(3-acetamidothiophen-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is GTFRBFIEGKUCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O5S/c1-4(15)12-5-2-3-20-8(5)9-13-6(11(18)19)7(16)10(17)14-9/h2-3,16H,1H3,(H,12,15)(H,18,19)(H,13,14,17).
What are the key properties of 2-(3-acetamidothiophen-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid?
2-(3-acetamidothiophen-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid has a molecular weight of 295.28 g/mol, XLogP of 0.86, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidothiophen-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135434563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).