5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

C13H10N2O2S — CID 727650

IUPAC5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2csc3nc[nH]c(=O)c23)cc1
InChIInChI=1S/C13H10N2O2S/c1-17-9-4-2-8(3-5-9)10-6-18-13-11(10)12(16)14-7-15-13/h2-7H,1H3,(H,14,15,16)
InChIKeyVCWRNMKIIYUFIP-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.66
Rot. Bonds2

About 5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 727650) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID727650
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2csc3nc[nH]c(=O)c23)cc1
InChIInChI=1S/C13H10N2O2S/c1-17-9-4-2-8(3-5-9)10-6-18-13-11(10)12(16)14-7-15-13/h2-7H,1H3,(H,14,15,16)
InChIKeyVCWRNMKIIYUFIP-UHFFFAOYSA-N
XLogP2.66
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 727650) is 5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one is COc1ccc(-c2csc3nc[nH]c(=O)c23)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is VCWRNMKIIYUFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-17-9-4-2-8(3-5-9)10-6-18-13-11(10)12(16)14-7-15-13/h2-7H,1H3,(H,14,15,16).
What are the key properties of 5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 258.30 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 727650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).