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

C12H7FN2OS — CID 727600

IUPAC5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2scc(-c3ccc(F)cc3)c12
InChIInChI=1S/C12H7FN2OS/c13-8-3-1-7(2-4-8)9-5-17-12-10(9)11(16)14-6-15-12/h1-6H,(H,14,15,16)
InChIKeyDARIIFLATJJEOB-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.79
Rot. Bonds1

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

5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 727600) has the molecular formula C12H7FN2OS and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID727600
Molecular FormulaC12H7FN2OS
Molecular Weight246.27 g/mol
Exact Mass246.03
IUPAC Name5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2scc(-c3ccc(F)cc3)c12
InChIInChI=1S/C12H7FN2OS/c13-8-3-1-7(2-4-8)9-5-17-12-10(9)11(16)14-6-15-12/h1-6H,(H,14,15,16)
InChIKeyDARIIFLATJJEOB-UHFFFAOYSA-N
XLogP2.79
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-oxo-3H-thieno[2,3-d]pyrimidin-5-yl)phenyl]boronic acid
CID 167730220
4-chloro-5-phenylthieno[2,3-d]pyrimidine;5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 161450976
5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 4963645
5-(5-methyl-2-pyridinyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 67382174
5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28849118
5-(4-phenylphenyl)-3H-thieno[2,3-d]pyrimidine-4-thione
CID 39146845
5-(4-fluorophenyl)-2-methylsulfonyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82321979
5-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one
CID 136608447
5-fluoro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one
CID 136608358
2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyethanol
CID 68534883
5-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889653
5-(4-fluorophenyl)-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 9023008

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 727600) is 5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one is O=c1[nH]cnc2scc(-c3ccc(F)cc3)c12.
What is the InChIKey of 5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is DARIIFLATJJEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2OS/c13-8-3-1-7(2-4-8)9-5-17-12-10(9)11(16)14-6-15-12/h1-6H,(H,14,15,16).
What are the key properties of 5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 246.27 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 727600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).