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

C10H8N2O4S — CID 54727893

IUPAC5-hydroxy-1-methyl-6-oxo-2-thiophen-2-ylpyrimidine-4-carboxylic acid
SMILESCn1c(-c2cccs2)nc(C(=O)O)c(O)c1=O
InChIInChI=1S/C10H8N2O4S/c1-12-8(5-3-2-4-17-5)11-6(10(15)16)7(13)9(12)14/h2-4,13H,1H3,(H,15,16)
InChIKeyCWHZCSASLVDDDM-UHFFFAOYSA-N
MW252.25 g/mol
LogP0.91
Rot. Bonds2

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

5-hydroxy-1-methyl-6-oxo-2-thiophen-2-ylpyrimidine-4-carboxylic acid (PubChem CID 54727893) has the molecular formula C10H8N2O4S and a molecular weight of 252.25 g/mol. Its IUPAC name is 5-hydroxy-1-methyl-6-oxo-2-thiophen-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-1-methyl-6-oxo-2-thiophen-2-ylpyrimidine-4-carboxylic acid
PubChem CID54727893
Molecular FormulaC10H8N2O4S
Molecular Weight252.25 g/mol
Exact Mass252.02
IUPAC Name5-hydroxy-1-methyl-6-oxo-2-thiophen-2-ylpyrimidine-4-carboxylic acid
SMILESCn1c(-c2cccs2)nc(C(=O)O)c(O)c1=O
InChIInChI=1S/C10H8N2O4S/c1-12-8(5-3-2-4-17-5)11-6(10(15)16)7(13)9(12)14/h2-4,13H,1H3,(H,15,16)
InChIKeyCWHZCSASLVDDDM-UHFFFAOYSA-N
XLogP0.91
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-methyl-6-oxo-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-1-methyl-6-oxo-2-thiophen-2-ylpyrimidine-4-carboxylic acid (CID 54727893) is 5-hydroxy-1-methyl-6-oxo-2-thiophen-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-1-methyl-6-oxo-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-1-methyl-6-oxo-2-thiophen-2-ylpyrimidine-4-carboxylic acid is Cn1c(-c2cccs2)nc(C(=O)O)c(O)c1=O.
What is the InChIKey of 5-hydroxy-1-methyl-6-oxo-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is CWHZCSASLVDDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4S/c1-12-8(5-3-2-4-17-5)11-6(10(15)16)7(13)9(12)14/h2-4,13H,1H3,(H,15,16).
What are the key properties of 5-hydroxy-1-methyl-6-oxo-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
5-hydroxy-1-methyl-6-oxo-2-thiophen-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 252.25 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-methyl-6-oxo-2-thiophen-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 54727893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).