2-(2,6-difluorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

C18H10F2N2OS — CID 28889403

IUPAC2-(2,6-difluorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2c(F)cccc2F)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C18H10F2N2OS/c19-12-7-4-8-13(20)15(12)16-21-17(23)14-11(9-24-18(14)22-16)10-5-2-1-3-6-10/h1-9H,(H,21,22,23)
InChIKeyDGPPEYPTEHAYTB-UHFFFAOYSA-N
MW340.35 g/mol
LogP4.60
Rot. Bonds2

About 2-(2,6-difluorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

2-(2,6-difluorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 28889403) has the molecular formula C18H10F2N2OS and a molecular weight of 340.35 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID28889403
Molecular FormulaC18H10F2N2OS
Molecular Weight340.35 g/mol
Exact Mass340.05
IUPAC Name2-(2,6-difluorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2c(F)cccc2F)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C18H10F2N2OS/c19-12-7-4-8-13(20)15(12)16-21-17(23)14-11(9-24-18(14)22-16)10-5-2-1-3-6-10/h1-9H,(H,21,22,23)
InChIKeyDGPPEYPTEHAYTB-UHFFFAOYSA-N
XLogP4.60
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868492
2-(2,6-difluorophenyl)-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889421
2-(dichloromethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 852970
2-[(4-chlorophenyl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 986669
5-(4-ethylphenyl)-2-(3-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28888109
5-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889653
2-(2,6-difluorophenyl)-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889437
2-[(E)-2-(4-chlorophenyl)ethenyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 134093392
5-(4-bromophenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889218
2-[2-(5-methylthiophen-2-yl)ethenyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 4876771
2-(2-chlorophenyl)-5-(3,4-dichlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868545
5-(4-tert-butylphenyl)-2-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868602

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2,6-difluorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 28889403) is 2-(2,6-difluorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is O=c1[nH]c(-c2c(F)cccc2F)nc2scc(-c3ccccc3)c12.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is DGPPEYPTEHAYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F2N2OS/c19-12-7-4-8-13(20)15(12)16-21-17(23)14-11(9-24-18(14)22-16)10-5-2-1-3-6-10/h1-9H,(H,21,22,23).
What are the key properties of 2-(2,6-difluorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-(2,6-difluorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 340.35 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 28889403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).