4-aminothieno[3,2-d]pyrimidine-7-carboxylic acid

C7H5N3O2S — CID 67052827

IUPAC4-aminothieno[3,2-d]pyrimidine-7-carboxylic acid
SMILESNc1ncnc2c(C(=O)O)csc12
InChIInChI=1S/C7H5N3O2S/c8-6-5-4(9-2-10-6)3(1-13-5)7(11)12/h1-2H,(H,11,12)(H2,8,9,10)
InChIKeyXHAMZTOKACCSNT-UHFFFAOYSA-N
MW195.20 g/mol
LogP0.97
Rot. Bonds1

About 4-aminothieno[3,2-d]pyrimidine-7-carboxylic acid

4-aminothieno[3,2-d]pyrimidine-7-carboxylic acid (PubChem CID 67052827) has the molecular formula C7H5N3O2S and a molecular weight of 195.20 g/mol. Its IUPAC name is 4-aminothieno[3,2-d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name4-aminothieno[3,2-d]pyrimidine-7-carboxylic acid
PubChem CID67052827
Molecular FormulaC7H5N3O2S
Molecular Weight195.20 g/mol
Exact Mass195.01
IUPAC Name4-aminothieno[3,2-d]pyrimidine-7-carboxylic acid
SMILESNc1ncnc2c(C(=O)O)csc12
InChIInChI=1S/C7H5N3O2S/c8-6-5-4(9-2-10-6)3(1-13-5)7(11)12/h1-2H,(H,11,12)(H2,8,9,10)
InChIKeyXHAMZTOKACCSNT-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 4-aminothieno[3,2-d]pyrimidine-7-carboxylic acid?
The IUPAC name of 4-aminothieno[3,2-d]pyrimidine-7-carboxylic acid (CID 67052827) is 4-aminothieno[3,2-d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 4-aminothieno[3,2-d]pyrimidine-7-carboxylic acid?
The canonical SMILES for 4-aminothieno[3,2-d]pyrimidine-7-carboxylic acid is Nc1ncnc2c(C(=O)O)csc12.
What is the InChIKey of 4-aminothieno[3,2-d]pyrimidine-7-carboxylic acid?
The InChIKey is XHAMZTOKACCSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2S/c8-6-5-4(9-2-10-6)3(1-13-5)7(11)12/h1-2H,(H,11,12)(H2,8,9,10).
What are the key properties of 4-aminothieno[3,2-d]pyrimidine-7-carboxylic acid?
4-aminothieno[3,2-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 4-aminothieno[3,2-d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 67052827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).