4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid

C13H15N3O3S — CID 66240306

IUPAC4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCc1sc2ncnc(NC3COCC3C(=O)O)c2c1C
InChIInChI=1S/C13H15N3O3S/c1-6-7(2)20-12-10(6)11(14-5-15-12)16-9-4-19-3-8(9)13(17)18/h5,8-9H,3-4H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyQTNSIEDWPPNBOU-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.82
Rot. Bonds3

About 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid

4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid (PubChem CID 66240306) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
PubChem CID66240306
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCc1sc2ncnc(NC3COCC3C(=O)O)c2c1C
InChIInChI=1S/C13H15N3O3S/c1-6-7(2)20-12-10(6)11(14-5-15-12)16-9-4-19-3-8(9)13(17)18/h5,8-9H,3-4H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyQTNSIEDWPPNBOU-UHFFFAOYSA-N
XLogP1.82
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid (CID 66240306) is 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid is Cc1sc2ncnc(NC3COCC3C(=O)O)c2c1C.
What is the InChIKey of 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is QTNSIEDWPPNBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-6-7(2)20-12-10(6)11(14-5-15-12)16-9-4-19-3-8(9)13(17)18/h5,8-9H,3-4H2,1-2H3,(H,17,18)(H,14,15,16).
What are the key properties of 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 293.35 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66240306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).