2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbutanoic acid

C11H12N2O2S2 — CID 102686173

IUPAC2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbutanoic acid
SMILESCCC(Sc1ncnc2c(C)csc12)C(=O)O
InChIInChI=1S/C11H12N2O2S2/c1-3-7(11(14)15)17-10-9-8(12-5-13-10)6(2)4-16-9/h4-5,7H,3H2,1-2H3,(H,14,15)
InChIKeyJVYMNEMQWHBRQC-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.96
Rot. Bonds4

About 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbutanoic acid

2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbutanoic acid (PubChem CID 102686173) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbutanoic acid.

Molecular Properties

Compound Name2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbutanoic acid
PubChem CID102686173
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Name2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbutanoic acid
SMILESCCC(Sc1ncnc2c(C)csc12)C(=O)O
InChIInChI=1S/C11H12N2O2S2/c1-3-7(11(14)15)17-10-9-8(12-5-13-10)6(2)4-16-9/h4-5,7H,3H2,1-2H3,(H,14,15)
InChIKeyJVYMNEMQWHBRQC-UHFFFAOYSA-N
XLogP2.96
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbutanoic acid?
The IUPAC name of 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbutanoic acid (CID 102686173) is 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbutanoic acid.
What is the SMILES notation for 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbutanoic acid?
The canonical SMILES for 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbutanoic acid is CCC(Sc1ncnc2c(C)csc12)C(=O)O.
What is the InChIKey of 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbutanoic acid?
The InChIKey is JVYMNEMQWHBRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-3-7(11(14)15)17-10-9-8(12-5-13-10)6(2)4-16-9/h4-5,7H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbutanoic acid?
2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbutanoic acid has a molecular weight of 268.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbutanoic acid is sourced from PubChem (CID 102686173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).