4-(2-aminothieno[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid

C11H13N5O2S — CID 129097003

IUPAC4-(2-aminothieno[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid
SMILESNc1nc(N2CCN(C(=O)O)CC2)c2cscc2n1
InChIInChI=1S/C11H13N5O2S/c12-10-13-8-6-19-5-7(8)9(14-10)15-1-3-16(4-2-15)11(17)18/h5-6H,1-4H2,(H2,12,13)(H,17,18)
InChIKeyOPOVUPGILMZAAX-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.07
Rot. Bonds1

About 4-(2-aminothieno[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid

4-(2-aminothieno[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid (PubChem CID 129097003) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is 4-(2-aminothieno[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-aminothieno[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid
PubChem CID129097003
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC Name4-(2-aminothieno[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid
SMILESNc1nc(N2CCN(C(=O)O)CC2)c2cscc2n1
InChIInChI=1S/C11H13N5O2S/c12-10-13-8-6-19-5-7(8)9(14-10)15-1-3-16(4-2-15)11(17)18/h5-6H,1-4H2,(H2,12,13)(H,17,18)
InChIKeyOPOVUPGILMZAAX-UHFFFAOYSA-N
XLogP1.07
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminothieno[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(2-aminothieno[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid (CID 129097003) is 4-(2-aminothieno[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(2-aminothieno[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(2-aminothieno[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid is Nc1nc(N2CCN(C(=O)O)CC2)c2cscc2n1.
What is the InChIKey of 4-(2-aminothieno[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid?
The InChIKey is OPOVUPGILMZAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c12-10-13-8-6-19-5-7(8)9(14-10)15-1-3-16(4-2-15)11(17)18/h5-6H,1-4H2,(H2,12,13)(H,17,18).
What are the key properties of 4-(2-aminothieno[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid?
4-(2-aminothieno[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid has a molecular weight of 279.32 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminothieno[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 129097003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).