3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one

C15H11FN2O3S — CID 18123516

IUPAC3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(C(=O)Cn2cnc3ccsc3c2=O)cc1F
InChIInChI=1S/C15H11FN2O3S/c1-21-13-3-2-9(6-10(13)16)12(19)7-18-8-17-11-4-5-22-14(11)15(18)20/h2-6,8H,7H2,1H3
InChIKeyJHBMXWRTGDOEAC-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.49
Rot. Bonds4

About 3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one

3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 18123516) has the molecular formula C15H11FN2O3S and a molecular weight of 318.33 g/mol. Its IUPAC name is 3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID18123516
Molecular FormulaC15H11FN2O3S
Molecular Weight318.33 g/mol
Exact Mass318.05
IUPAC Name3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(C(=O)Cn2cnc3ccsc3c2=O)cc1F
InChIInChI=1S/C15H11FN2O3S/c1-21-13-3-2-9(6-10(13)16)12(19)7-18-8-17-11-4-5-22-14(11)15(18)20/h2-6,8H,7H2,1H3
InChIKeyJHBMXWRTGDOEAC-UHFFFAOYSA-N
XLogP2.49
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 18123501
N-[2-methylsulfanyl-5-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]phenyl]acetamide
CID 17415574
3-[2-(2-fluorophenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 33278023
3-[2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 41095519
6-chloro-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one
CID 8506237
3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 60700955
4-fluoro-3-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide
CID 116620744
1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 62023747
3-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 33278584
1-(3-fluoro-4-methoxyphenyl)-2-thiomorpholin-4-ylethanone
CID 62052732
3-methyl-4-(4-oxothieno[3,2-d]pyrimidin-3-yl)but-2-enoic acid
CID 77005789
1-ethyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 7549299

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one (CID 18123516) is 3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one is COc1ccc(C(=O)Cn2cnc3ccsc3c2=O)cc1F.
What is the InChIKey of 3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is JHBMXWRTGDOEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3S/c1-21-13-3-2-9(6-10(13)16)12(19)7-18-8-17-11-4-5-22-14(11)15(18)20/h2-6,8H,7H2,1H3.
What are the key properties of 3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one?
3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 318.33 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 18123516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).