5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxylic acid

C9H6N2O4S — CID 135433415

IUPAC5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2cccs2)[nH]c(=O)c1O
InChIInChI=1S/C9H6N2O4S/c12-6-5(9(14)15)10-7(11-8(6)13)4-2-1-3-16-4/h1-3,12H,(H,14,15)(H,10,11,13)
InChIKeySSOGKSFNCMYOPA-UHFFFAOYSA-N
MW238.22 g/mol
LogP0.90
Rot. Bonds2

About 5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxylic acid

5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxylic acid (PubChem CID 135433415) has the molecular formula C9H6N2O4S and a molecular weight of 238.22 g/mol. Its IUPAC name is 5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxylic acid
PubChem CID135433415
Molecular FormulaC9H6N2O4S
Molecular Weight238.22 g/mol
Exact Mass238.00
IUPAC Name5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2cccs2)[nH]c(=O)c1O
InChIInChI=1S/C9H6N2O4S/c12-6-5(9(14)15)10-7(11-8(6)13)4-2-1-3-16-4/h1-3,12H,(H,14,15)(H,10,11,13)
InChIKeySSOGKSFNCMYOPA-UHFFFAOYSA-N
XLogP0.90
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Hydroxy-1-methyl-6-oxo-2-(2-thienyl)pyrimidine-4-carboxylic acid
CID 54727893
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-2-thiophen-2-yl-1H-pyrimidin-6-one
CID 118736598
5,6-Dihydroxy-2-(3-nitro-2-thienyl)pyrimidine-4-carboxylic acid
CID 135465482
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
N-(2-acetamidoethyl)-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 136094882
5,6-Dihydroxy-2-(3-thienyl)pyrimidine-4-carboxylic acid
CID 135434702
5,6-dihydroxy-2-(2-thienyl)-N-(trifluoromethylsulfonyl)pyrimidine-4-carboxamide
CID 135430587

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxylic acid (CID 135433415) is 5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxylic acid is O=C(O)c1nc(-c2cccs2)[nH]c(=O)c1O.
What is the InChIKey of 5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxylic acid?
The InChIKey is SSOGKSFNCMYOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O4S/c12-6-5(9(14)15)10-7(11-8(6)13)4-2-1-3-16-4/h1-3,12H,(H,14,15)(H,10,11,13).
What are the key properties of 5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxylic acid?
5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxylic acid has a molecular weight of 238.22 g/mol, XLogP of 0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135433415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).