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

C10H8N2O4S — CID 135434622

IUPAC5-hydroxy-2-(5-methylthiophen-2-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCc1ccc(-c2nc(C(=O)O)c(O)c(=O)[nH]2)s1
InChIInChI=1S/C10H8N2O4S/c1-4-2-3-5(17-4)8-11-6(10(15)16)7(13)9(14)12-8/h2-3,13H,1H3,(H,15,16)(H,11,12,14)
InChIKeyLJBKJNMEFVWVFM-UHFFFAOYSA-N
MW252.25 g/mol
LogP1.21
Rot. Bonds2

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

5-hydroxy-2-(5-methylthiophen-2-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 135434622) has the molecular formula C10H8N2O4S and a molecular weight of 252.25 g/mol. Its IUPAC name is 5-hydroxy-2-(5-methylthiophen-2-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2-(5-methylthiophen-2-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID135434622
Molecular FormulaC10H8N2O4S
Molecular Weight252.25 g/mol
Exact Mass252.02
IUPAC Name5-hydroxy-2-(5-methylthiophen-2-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCc1ccc(-c2nc(C(=O)O)c(O)c(=O)[nH]2)s1
InChIInChI=1S/C10H8N2O4S/c1-4-2-3-5(17-4)8-11-6(10(15)16)7(13)9(14)12-8/h2-3,13H,1H3,(H,15,16)(H,11,12,14)
InChIKeyLJBKJNMEFVWVFM-UHFFFAOYSA-N
XLogP1.21
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(5-methylthiophen-2-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-2-(5-methylthiophen-2-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid (CID 135434622) is 5-hydroxy-2-(5-methylthiophen-2-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2-(5-methylthiophen-2-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-2-(5-methylthiophen-2-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid is Cc1ccc(-c2nc(C(=O)O)c(O)c(=O)[nH]2)s1.
What is the InChIKey of 5-hydroxy-2-(5-methylthiophen-2-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is LJBKJNMEFVWVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4S/c1-4-2-3-5(17-4)8-11-6(10(15)16)7(13)9(14)12-8/h2-3,13H,1H3,(H,15,16)(H,11,12,14).
What are the key properties of 5-hydroxy-2-(5-methylthiophen-2-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
5-hydroxy-2-(5-methylthiophen-2-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid has a molecular weight of 252.25 g/mol, XLogP of 1.21, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(5-methylthiophen-2-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135434622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).