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

C13H15N3O3S — CID 66235368

IUPAC4-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCc1cc2c(N(C)C3COCC3C(=O)O)ncnc2s1
InChIInChI=1S/C13H15N3O3S/c1-7-3-8-11(14-6-15-12(8)20-7)16(2)10-5-19-4-9(10)13(17)18/h3,6,9-10H,4-5H2,1-2H3,(H,17,18)
InChIKeyWXCITJJVKDAMCF-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.54
Rot. Bonds3

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

4-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid (PubChem CID 66235368) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 4-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
PubChem CID66235368
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name4-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCc1cc2c(N(C)C3COCC3C(=O)O)ncnc2s1
InChIInChI=1S/C13H15N3O3S/c1-7-3-8-11(14-6-15-12(8)20-7)16(2)10-5-19-4-9(10)13(17)18/h3,6,9-10H,4-5H2,1-2H3,(H,17,18)
InChIKeyWXCITJJVKDAMCF-UHFFFAOYSA-N
XLogP1.54
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid (CID 66235368) is 4-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid is Cc1cc2c(N(C)C3COCC3C(=O)O)ncnc2s1.
What is the InChIKey of 4-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is WXCITJJVKDAMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-7-3-8-11(14-6-15-12(8)20-7)16(2)10-5-19-4-9(10)13(17)18/h3,6,9-10H,4-5H2,1-2H3,(H,17,18).
What are the key properties of 4-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
4-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 293.35 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66235368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).