1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)ethanone

C14H10N2O2S — CID 2478817

IUPAC1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)ethanone
SMILESCC(=O)c1ccc(Oc2ncnc3sccc23)cc1
InChIInChI=1S/C14H10N2O2S/c1-9(17)10-2-4-11(5-3-10)18-13-12-6-7-19-14(12)16-8-15-13/h2-8H,1H3
InChIKeyCVDPZFCYGXBTPB-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.69
Rot. Bonds3

About 1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)ethanone

1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)ethanone (PubChem CID 2478817) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)ethanone
PubChem CID2478817
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)ethanone
SMILESCC(=O)c1ccc(Oc2ncnc3sccc23)cc1
InChIInChI=1S/C14H10N2O2S/c1-9(17)10-2-4-11(5-3-10)18-13-12-6-7-19-14(12)16-8-15-13/h2-8H,1H3
InChIKeyCVDPZFCYGXBTPB-UHFFFAOYSA-N
XLogP3.69
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)ethanone?
The IUPAC name of 1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)ethanone (CID 2478817) is 1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)ethanone.
What is the SMILES notation for 1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)ethanone?
The canonical SMILES for 1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)ethanone is CC(=O)c1ccc(Oc2ncnc3sccc23)cc1.
What is the InChIKey of 1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)ethanone?
The InChIKey is CVDPZFCYGXBTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c1-9(17)10-2-4-11(5-3-10)18-13-12-6-7-19-14(12)16-8-15-13/h2-8H,1H3.
What are the key properties of 1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)ethanone?
1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)ethanone has a molecular weight of 270.31 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)ethanone is sourced from PubChem (CID 2478817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).