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

C21H17FN2O3S — CID 7629324

IUPAC5-(4-fluorophenyl)-3-[2-(4-methoxyphenoxy)ethyl]thieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(OCCn2cnc3scc(-c4ccc(F)cc4)c3c2=O)cc1
InChIInChI=1S/C21H17FN2O3S/c1-26-16-6-8-17(9-7-16)27-11-10-24-13-23-20-19(21(24)25)18(12-28-20)14-2-4-15(22)5-3-14/h2-9,12-13H,10-11H2,1H3
InChIKeyQGYKKPIKZOWRNS-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.35
Rot. Bonds6

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

5-(4-fluorophenyl)-3-[2-(4-methoxyphenoxy)ethyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 7629324) has the molecular formula C21H17FN2O3S and a molecular weight of 396.44 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[2-(4-methoxyphenoxy)ethyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[2-(4-methoxyphenoxy)ethyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID7629324
Molecular FormulaC21H17FN2O3S
Molecular Weight396.44 g/mol
Exact Mass396.09
IUPAC Name5-(4-fluorophenyl)-3-[2-(4-methoxyphenoxy)ethyl]thieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(OCCn2cnc3scc(-c4ccc(F)cc4)c3c2=O)cc1
InChIInChI=1S/C21H17FN2O3S/c1-26-16-6-8-17(9-7-16)27-11-10-24-13-23-20-19(21(24)25)18(12-28-20)14-2-4-15(22)5-3-14/h2-9,12-13H,10-11H2,1H3
InChIKeyQGYKKPIKZOWRNS-UHFFFAOYSA-N
XLogP4.35
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one
CID 42933957
3-[2-(4-fluorophenoxy)ethyl]-5-(5-methylthiophen-2-yl)thieno[2,3-d]pyrimidin-4-one
CID 7646478
2-[4-[2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]ethoxy]phenyl]acetonitrile
CID 78880971
5-(4-methoxyphenyl)-3-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 992638
3-[3-(4-methylphenoxy)propyl]-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-one
CID 40828655
5-(4-methylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one
CID 709146
5-(4-fluorophenyl)-3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 16590943
5-(4-chlorophenyl)-3-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-one
CID 24674180
5-(3,4-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 16578954
N-ethyl-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 18195144
3-[(2,4-dichlorophenyl)methyl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-one
CID 7629258
N-(4-chlorophenyl)-2-[5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 1189430

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[2-(4-methoxyphenoxy)ethyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-fluorophenyl)-3-[2-(4-methoxyphenoxy)ethyl]thieno[2,3-d]pyrimidin-4-one (CID 7629324) is 5-(4-fluorophenyl)-3-[2-(4-methoxyphenoxy)ethyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[2-(4-methoxyphenoxy)ethyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-[2-(4-methoxyphenoxy)ethyl]thieno[2,3-d]pyrimidin-4-one is COc1ccc(OCCn2cnc3scc(-c4ccc(F)cc4)c3c2=O)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-[2-(4-methoxyphenoxy)ethyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is QGYKKPIKZOWRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O3S/c1-26-16-6-8-17(9-7-16)27-11-10-24-13-23-20-19(21(24)25)18(12-28-20)14-2-4-15(22)5-3-14/h2-9,12-13H,10-11H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-3-[2-(4-methoxyphenoxy)ethyl]thieno[2,3-d]pyrimidin-4-one?
5-(4-fluorophenyl)-3-[2-(4-methoxyphenoxy)ethyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 396.44 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[2-(4-methoxyphenoxy)ethyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 7629324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).