2,6-diphenyl-3H-thieno[2,3-d]pyrimidin-4-one

C18H12N2OS — CID 705286

IUPAC2,6-diphenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2)nc2sc(-c3ccccc3)cc12
InChIInChI=1S/C18H12N2OS/c21-17-14-11-15(12-7-3-1-4-8-12)22-18(14)20-16(19-17)13-9-5-2-6-10-13/h1-11H,(H,19,20,21)
InChIKeyFYIAKKUOSKSDHQ-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.32
Rot. Bonds2

About 2,6-diphenyl-3H-thieno[2,3-d]pyrimidin-4-one

2,6-diphenyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 705286) has the molecular formula C18H12N2OS and a molecular weight of 304.37 g/mol. Its IUPAC name is 2,6-diphenyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,6-diphenyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID705286
Molecular FormulaC18H12N2OS
Molecular Weight304.37 g/mol
Exact Mass304.07
IUPAC Name2,6-diphenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2)nc2sc(-c3ccccc3)cc12
InChIInChI=1S/C18H12N2OS/c21-17-14-11-15(12-7-3-1-4-8-12)22-18(14)20-16(19-17)13-9-5-2-6-10-13/h1-11H,(H,19,20,21)
InChIKeyFYIAKKUOSKSDHQ-UHFFFAOYSA-N
XLogP4.32
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2,6-diphenyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 705286) is 2,6-diphenyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2,6-diphenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2,6-diphenyl-3H-thieno[2,3-d]pyrimidin-4-one is O=c1[nH]c(-c2ccccc2)nc2sc(-c3ccccc3)cc12.
What is the InChIKey of 2,6-diphenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is FYIAKKUOSKSDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2OS/c21-17-14-11-15(12-7-3-1-4-8-12)22-18(14)20-16(19-17)13-9-5-2-6-10-13/h1-11H,(H,19,20,21).
What are the key properties of 2,6-diphenyl-3H-thieno[2,3-d]pyrimidin-4-one?
2,6-diphenyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 304.37 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 705286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).