(2R)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylcyclohexan-1-one

C12H12N2OS2 — CID 2553231

IUPAC(2R)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylcyclohexan-1-one
SMILESO=C1CCCC[C@H]1Sc1ncnc2sccc12
InChIInChI=1S/C12H12N2OS2/c15-9-3-1-2-4-10(9)17-12-8-5-6-16-11(8)13-7-14-12/h5-7,10H,1-4H2/t10-/m1/s1
InChIKeyXFRZWJFJGLCHFX-SNVBAGLBSA-N
MW264.37 g/mol
LogP3.30
Rot. Bonds2

About (2R)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylcyclohexan-1-one

(2R)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylcyclohexan-1-one (PubChem CID 2553231) has the molecular formula C12H12N2OS2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2R)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylcyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylcyclohexan-1-one
PubChem CID2553231
Molecular FormulaC12H12N2OS2
Molecular Weight264.37 g/mol
Exact Mass264.04
IUPAC Name(2R)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylcyclohexan-1-one
SMILESO=C1CCCC[C@H]1Sc1ncnc2sccc12
InChIInChI=1S/C12H12N2OS2/c15-9-3-1-2-4-10(9)17-12-8-5-6-16-11(8)13-7-14-12/h5-7,10H,1-4H2/t10-/m1/s1
InChIKeyXFRZWJFJGLCHFX-SNVBAGLBSA-N
XLogP3.30
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylcyclohexan-1-one?
The IUPAC name of (2R)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylcyclohexan-1-one (CID 2553231) is (2R)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylcyclohexan-1-one.
What is the SMILES notation for (2R)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylcyclohexan-1-one?
The canonical SMILES for (2R)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylcyclohexan-1-one is O=C1CCCC[C@H]1Sc1ncnc2sccc12.
What is the InChIKey of (2R)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylcyclohexan-1-one?
The InChIKey is XFRZWJFJGLCHFX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H12N2OS2/c15-9-3-1-2-4-10(9)17-12-8-5-6-16-11(8)13-7-14-12/h5-7,10H,1-4H2/t10-/m1/s1.
What are the key properties of (2R)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylcyclohexan-1-one?
(2R)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylcyclohexan-1-one has a molecular weight of 264.37 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylcyclohexan-1-one is sourced from PubChem (CID 2553231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).