5-(2-aminopyrimidin-4-yl)thiophene-2-carboxylic acid

C9H7N3O2S — CID 59849626

IUPAC5-(2-aminopyrimidin-4-yl)thiophene-2-carboxylic acid
SMILESNc1nccc(-c2ccc(C(=O)O)s2)n1
InChIInChI=1S/C9H7N3O2S/c10-9-11-4-3-5(12-9)6-1-2-7(15-6)8(13)14/h1-4H,(H,13,14)(H2,10,11,12)
InChIKeyDSAXHLUQFQYCRP-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.49
Rot. Bonds2

About 5-(2-aminopyrimidin-4-yl)thiophene-2-carboxylic acid

5-(2-aminopyrimidin-4-yl)thiophene-2-carboxylic acid (PubChem CID 59849626) has the molecular formula C9H7N3O2S and a molecular weight of 221.24 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)thiophene-2-carboxylic acid
PubChem CID59849626
Molecular FormulaC9H7N3O2S
Molecular Weight221.24 g/mol
Exact Mass221.03
IUPAC Name5-(2-aminopyrimidin-4-yl)thiophene-2-carboxylic acid
SMILESNc1nccc(-c2ccc(C(=O)O)s2)n1
InChIInChI=1S/C9H7N3O2S/c10-9-11-4-3-5(12-9)6-1-2-7(15-6)8(13)14/h1-4H,(H,13,14)(H2,10,11,12)
InChIKeyDSAXHLUQFQYCRP-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 5-(2-aminopyrimidin-4-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)thiophene-2-carboxylic acid (CID 59849626) is 5-(2-aminopyrimidin-4-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)thiophene-2-carboxylic acid is Nc1nccc(-c2ccc(C(=O)O)s2)n1.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)thiophene-2-carboxylic acid?
The InChIKey is DSAXHLUQFQYCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2S/c10-9-11-4-3-5(12-9)6-1-2-7(15-6)8(13)14/h1-4H,(H,13,14)(H2,10,11,12).
What are the key properties of 5-(2-aminopyrimidin-4-yl)thiophene-2-carboxylic acid?
5-(2-aminopyrimidin-4-yl)thiophene-2-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 5-(2-aminopyrimidin-4-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 59849626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).