5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxylic acid

C10H9N3O2S — CID 91059492

IUPAC5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxylic acid
SMILESCNc1nccc(-c2ccc(C(=O)O)s2)n1
InChIInChI=1S/C10H9N3O2S/c1-11-10-12-5-4-6(13-10)7-2-3-8(16-7)9(14)15/h2-5H,1H3,(H,14,15)(H,11,12,13)
InChIKeyFUQLAWGCJDWGQE-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.95
Rot. Bonds3

About 5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxylic acid

5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxylic acid (PubChem CID 91059492) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxylic acid
PubChem CID91059492
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxylic acid
SMILESCNc1nccc(-c2ccc(C(=O)O)s2)n1
InChIInChI=1S/C10H9N3O2S/c1-11-10-12-5-4-6(13-10)7-2-3-8(16-7)9(14)15/h2-5H,1H3,(H,14,15)(H,11,12,13)
InChIKeyFUQLAWGCJDWGQE-UHFFFAOYSA-N
XLogP1.95
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxylic acid (CID 91059492) is 5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxylic acid is CNc1nccc(-c2ccc(C(=O)O)s2)n1.
What is the InChIKey of 5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxylic acid?
The InChIKey is FUQLAWGCJDWGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-11-10-12-5-4-6(13-10)7-2-3-8(16-7)9(14)15/h2-5H,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxylic acid?
5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxylic acid has a molecular weight of 235.27 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxylic acid is sourced from PubChem (CID 91059492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).