1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione

C12H11FN2O3S — CID 60734724

IUPAC1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione
SMILESCc1cc(C(=O)Cn2cc(F)c(=O)[nH]c2=O)c(C)s1
InChIInChI=1S/C12H11FN2O3S/c1-6-3-8(7(2)19-6)10(16)5-15-4-9(13)11(17)14-12(15)18/h3-4H,5H2,1-2H3,(H,14,17,18)
InChIKeyVWARJQKZWMPDBP-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.24
Rot. Bonds3

About 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione

1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 60734724) has the molecular formula C12H11FN2O3S and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione
PubChem CID60734724
Molecular FormulaC12H11FN2O3S
Molecular Weight282.30 g/mol
Exact Mass282.05
IUPAC Name1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione
SMILESCc1cc(C(=O)Cn2cc(F)c(=O)[nH]c2=O)c(C)s1
InChIInChI=1S/C12H11FN2O3S/c1-6-3-8(7(2)19-6)10(16)5-15-4-9(13)11(17)14-12(15)18/h3-4H,5H2,1-2H3,(H,14,17,18)
InChIKeyVWARJQKZWMPDBP-UHFFFAOYSA-N
XLogP1.24
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione 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

5-fluoro-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 60734863
5-fluoro-1-[2-(3-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 63558385
5-fluoro-1-(3-methoxy-2-oxopropyl)pyrimidine-2,4-dione
CID 107507774
methyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
CID 637881
5-fluoro-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 55027813
3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-6-methylpyrimidin-4-one
CID 62025793
5-methyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 60734826
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 9373125
(5-fluoro-2,4-dioxopyrimidin-1-yl)methylurea
CID 70581549
5-fluoro-1-[2-oxo-2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]pyrimidine-2,4-dione
CID 172965199
5-chloro-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 66423572
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]piperidin-4-one
CID 62053004

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione (CID 60734724) is 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione is Cc1cc(C(=O)Cn2cc(F)c(=O)[nH]c2=O)c(C)s1.
What is the InChIKey of 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is VWARJQKZWMPDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3S/c1-6-3-8(7(2)19-6)10(16)5-15-4-9(13)11(17)14-12(15)18/h3-4H,5H2,1-2H3,(H,14,17,18).
What are the key properties of 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione?
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 282.30 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 60734724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).