5-aminothieno[3,4-d]pyrimidine-7-carboxylic acid

C7H5N3O2S — CID 82400624

IUPAC5-aminothieno[3,4-d]pyrimidine-7-carboxylic acid
SMILESNc1sc(C(=O)O)c2ncncc12
InChIInChI=1S/C7H5N3O2S/c8-6-3-1-9-2-10-4(3)5(13-6)7(11)12/h1-2H,8H2,(H,11,12)
InChIKeyACJZPCXKMMERIU-UHFFFAOYSA-N
MW195.20 g/mol
LogP0.97
Rot. Bonds1

About 5-aminothieno[3,4-d]pyrimidine-7-carboxylic acid

5-aminothieno[3,4-d]pyrimidine-7-carboxylic acid (PubChem CID 82400624) has the molecular formula C7H5N3O2S and a molecular weight of 195.20 g/mol. Its IUPAC name is 5-aminothieno[3,4-d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name5-aminothieno[3,4-d]pyrimidine-7-carboxylic acid
PubChem CID82400624
Molecular FormulaC7H5N3O2S
Molecular Weight195.20 g/mol
Exact Mass195.01
IUPAC Name5-aminothieno[3,4-d]pyrimidine-7-carboxylic acid
SMILESNc1sc(C(=O)O)c2ncncc12
InChIInChI=1S/C7H5N3O2S/c8-6-3-1-9-2-10-4(3)5(13-6)7(11)12/h1-2H,8H2,(H,11,12)
InChIKeyACJZPCXKMMERIU-UHFFFAOYSA-N
XLogP0.97
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-aminothieno[3,4-d]pyrimidine-7-carboxylic acid?
The IUPAC name of 5-aminothieno[3,4-d]pyrimidine-7-carboxylic acid (CID 82400624) is 5-aminothieno[3,4-d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 5-aminothieno[3,4-d]pyrimidine-7-carboxylic acid?
The canonical SMILES for 5-aminothieno[3,4-d]pyrimidine-7-carboxylic acid is Nc1sc(C(=O)O)c2ncncc12.
What is the InChIKey of 5-aminothieno[3,4-d]pyrimidine-7-carboxylic acid?
The InChIKey is ACJZPCXKMMERIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2S/c8-6-3-1-9-2-10-4(3)5(13-6)7(11)12/h1-2H,8H2,(H,11,12).
What are the key properties of 5-aminothieno[3,4-d]pyrimidine-7-carboxylic acid?
5-aminothieno[3,4-d]pyrimidine-7-carboxylic acid has a molecular weight of 195.20 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminothieno[3,4-d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 82400624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).