5-[2-(dimethylamino)pyrimidin-4-yl]sulfanylfuran-2-carboxylic acid

C11H11N3O3S — CID 64828686

IUPAC5-[2-(dimethylamino)pyrimidin-4-yl]sulfanylfuran-2-carboxylic acid
SMILESCN(C)c1nccc(Sc2ccc(C(=O)O)o2)n1
InChIInChI=1S/C11H11N3O3S/c1-14(2)11-12-6-5-8(13-11)18-9-4-3-7(17-9)10(15)16/h3-6H,1-2H3,(H,15,16)
InChIKeyFNJXBLZZDMPGOM-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.99
Rot. Bonds4

About 5-[2-(dimethylamino)pyrimidin-4-yl]sulfanylfuran-2-carboxylic acid

5-[2-(dimethylamino)pyrimidin-4-yl]sulfanylfuran-2-carboxylic acid (PubChem CID 64828686) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 5-[2-(dimethylamino)pyrimidin-4-yl]sulfanylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(dimethylamino)pyrimidin-4-yl]sulfanylfuran-2-carboxylic acid
PubChem CID64828686
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name5-[2-(dimethylamino)pyrimidin-4-yl]sulfanylfuran-2-carboxylic acid
SMILESCN(C)c1nccc(Sc2ccc(C(=O)O)o2)n1
InChIInChI=1S/C11H11N3O3S/c1-14(2)11-12-6-5-8(13-11)18-9-4-3-7(17-9)10(15)16/h3-6H,1-2H3,(H,15,16)
InChIKeyFNJXBLZZDMPGOM-UHFFFAOYSA-N
XLogP1.99
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-(dimethylamino)pyrimidin-4-yl]sulfanylfuran-2-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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)pyrimidin-4-yl]sulfanylfuran-2-carboxylic acid?
The IUPAC name of 5-[2-(dimethylamino)pyrimidin-4-yl]sulfanylfuran-2-carboxylic acid (CID 64828686) is 5-[2-(dimethylamino)pyrimidin-4-yl]sulfanylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[2-(dimethylamino)pyrimidin-4-yl]sulfanylfuran-2-carboxylic acid?
The canonical SMILES for 5-[2-(dimethylamino)pyrimidin-4-yl]sulfanylfuran-2-carboxylic acid is CN(C)c1nccc(Sc2ccc(C(=O)O)o2)n1.
What is the InChIKey of 5-[2-(dimethylamino)pyrimidin-4-yl]sulfanylfuran-2-carboxylic acid?
The InChIKey is FNJXBLZZDMPGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-14(2)11-12-6-5-8(13-11)18-9-4-3-7(17-9)10(15)16/h3-6H,1-2H3,(H,15,16).
What are the key properties of 5-[2-(dimethylamino)pyrimidin-4-yl]sulfanylfuran-2-carboxylic acid?
5-[2-(dimethylamino)pyrimidin-4-yl]sulfanylfuran-2-carboxylic acid has a molecular weight of 265.29 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)pyrimidin-4-yl]sulfanylfuran-2-carboxylic acid is sourced from PubChem (CID 64828686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).