2-(3-hydroxyphenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

C18H12N2O2S — CID 53268657

IUPAC2-(3-hydroxyphenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cccc(O)c2)nc2sc(-c3ccccc3)cc12
InChIInChI=1S/C18H12N2O2S/c21-13-8-4-7-12(9-13)16-19-17(22)14-10-15(23-18(14)20-16)11-5-2-1-3-6-11/h1-10,21H,(H,19,20,22)
InChIKeyOEYHPDDXRZAEIM-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.02
Rot. Bonds2

About 2-(3-hydroxyphenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

2-(3-hydroxyphenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 53268657) has the molecular formula C18H12N2O2S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID53268657
Molecular FormulaC18H12N2O2S
Molecular Weight320.37 g/mol
Exact Mass320.06
IUPAC Name2-(3-hydroxyphenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cccc(O)c2)nc2sc(-c3ccccc3)cc12
InChIInChI=1S/C18H12N2O2S/c21-13-8-4-7-12(9-13)16-19-17(22)14-10-15(23-18(14)20-16)11-5-2-1-3-6-11/h1-10,21H,(H,19,20,22)
InChIKeyOEYHPDDXRZAEIM-UHFFFAOYSA-N
XLogP4.02
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(3-hydroxyphenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 53268657) is 2-(3-hydroxyphenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-hydroxyphenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-hydroxyphenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is O=c1[nH]c(-c2cccc(O)c2)nc2sc(-c3ccccc3)cc12.
What is the InChIKey of 2-(3-hydroxyphenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is OEYHPDDXRZAEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2S/c21-13-8-4-7-12(9-13)16-19-17(22)14-10-15(23-18(14)20-16)11-5-2-1-3-6-11/h1-10,21H,(H,19,20,22).
What are the key properties of 2-(3-hydroxyphenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-(3-hydroxyphenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 320.37 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 53268657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).