6-amino-2-thiophen-2-ylpyrimidine-4-carboxylic acid

C9H7N3O2S — CID 58291707

IUPAC6-amino-2-thiophen-2-ylpyrimidine-4-carboxylic acid
SMILESNc1cc(C(=O)O)nc(-c2cccs2)n1
InChIInChI=1S/C9H7N3O2S/c10-7-4-5(9(13)14)11-8(12-7)6-2-1-3-15-6/h1-4H,(H,13,14)(H2,10,11,12)
InChIKeyXIOMDUBTYRQUFZ-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.49
Rot. Bonds2

About 6-amino-2-thiophen-2-ylpyrimidine-4-carboxylic acid

6-amino-2-thiophen-2-ylpyrimidine-4-carboxylic acid (PubChem CID 58291707) has the molecular formula C9H7N3O2S and a molecular weight of 221.24 g/mol. Its IUPAC name is 6-amino-2-thiophen-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-amino-2-thiophen-2-ylpyrimidine-4-carboxylic acid
PubChem CID58291707
Molecular FormulaC9H7N3O2S
Molecular Weight221.24 g/mol
Exact Mass221.03
IUPAC Name6-amino-2-thiophen-2-ylpyrimidine-4-carboxylic acid
SMILESNc1cc(C(=O)O)nc(-c2cccs2)n1
InChIInChI=1S/C9H7N3O2S/c10-7-4-5(9(13)14)11-8(12-7)6-2-1-3-15-6/h1-4H,(H,13,14)(H2,10,11,12)
InChIKeyXIOMDUBTYRQUFZ-UHFFFAOYSA-N
XLogP1.49
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-amino-2-thiophen-2-ylpyrimidine-4-carboxylic acid (CID 58291707) is 6-amino-2-thiophen-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-amino-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-amino-2-thiophen-2-ylpyrimidine-4-carboxylic acid is Nc1cc(C(=O)O)nc(-c2cccs2)n1.
What is the InChIKey of 6-amino-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is XIOMDUBTYRQUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2S/c10-7-4-5(9(13)14)11-8(12-7)6-2-1-3-15-6/h1-4H,(H,13,14)(H2,10,11,12).
What are the key properties of 6-amino-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
6-amino-2-thiophen-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 221.24 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-thiophen-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 58291707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).