3-[2-fluoro-5-[1-(2-fluoro-6-methoxyphenyl)ethoxy]phenyl]-2,4-dioxo-5,6-dihydro-1H-thieno[2,3-d]pyrimidine-5-carboxylic acid

C22H18F2N2O6S — CID 70943633

IUPAC3-[2-fluoro-5-[1-(2-fluoro-6-methoxyphenyl)ethoxy]phenyl]-2,4-dioxo-5,6-dihydro-1H-thieno[2,3-d]pyrimidine-5-carboxylic acid
SMILESCOc1cccc(F)c1C(C)Oc1ccc(F)c(-n2c(=O)[nH]c3c(c2=O)C(C(=O)O)CS3)c1
InChIInChI=1S/C22H18F2N2O6S/c1-10(17-14(24)4-3-5-16(17)31-2)32-11-6-7-13(23)15(8-11)26-20(27)18-12(21(28)29)9-33-19(18)25-22(26)30/h3-8,10,12H,9H2,1-2H3,(H,25,30)(H,28,29)
InChIKeyOEBYQRQNUFXWEB-UHFFFAOYSA-N
MW476.46 g/mol
LogP3.23
Rot. Bonds6

About 3-[2-fluoro-5-[1-(2-fluoro-6-methoxyphenyl)ethoxy]phenyl]-2,4-dioxo-5,6-dihydro-1H-thieno[2,3-d]pyrimidine-5-carboxylic acid

3-[2-fluoro-5-[1-(2-fluoro-6-methoxyphenyl)ethoxy]phenyl]-2,4-dioxo-5,6-dihydro-1H-thieno[2,3-d]pyrimidine-5-carboxylic acid (PubChem CID 70943633) has the molecular formula C22H18F2N2O6S and a molecular weight of 476.46 g/mol. Its IUPAC name is 3-[2-fluoro-5-[1-(2-fluoro-6-methoxyphenyl)ethoxy]phenyl]-2,4-dioxo-5,6-dihydro-1H-thieno[2,3-d]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name3-[2-fluoro-5-[1-(2-fluoro-6-methoxyphenyl)ethoxy]phenyl]-2,4-dioxo-5,6-dihydro-1H-thieno[2,3-d]pyrimidine-5-carboxylic acid
PubChem CID70943633
Molecular FormulaC22H18F2N2O6S
Molecular Weight476.46 g/mol
Exact Mass476.09
IUPAC Name3-[2-fluoro-5-[1-(2-fluoro-6-methoxyphenyl)ethoxy]phenyl]-2,4-dioxo-5,6-dihydro-1H-thieno[2,3-d]pyrimidine-5-carboxylic acid
SMILESCOc1cccc(F)c1C(C)Oc1ccc(F)c(-n2c(=O)[nH]c3c(c2=O)C(C(=O)O)CS3)c1
InChIInChI=1S/C22H18F2N2O6S/c1-10(17-14(24)4-3-5-16(17)31-2)32-11-6-7-13(23)15(8-11)26-20(27)18-12(21(28)29)9-33-19(18)25-22(26)30/h3-8,10,12H,9H2,1-2H3,(H,25,30)(H,28,29)
InChIKeyOEBYQRQNUFXWEB-UHFFFAOYSA-N
XLogP3.23
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.46
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[2-fluoro-5-[1-(2-fluoro-6-methoxyphenyl)ethoxy]phenyl]-2,4-dioxo-5,6-dihydro-1H-thieno[2,3-d]pyrimidine-5-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-5-[1-(2-fluoro-6-methoxyphenyl)ethoxy]phenyl]-2,4-dioxo-5,6-dihydro-1H-thieno[2,3-d]pyrimidine-5-carboxylic acid?
The IUPAC name of 3-[2-fluoro-5-[1-(2-fluoro-6-methoxyphenyl)ethoxy]phenyl]-2,4-dioxo-5,6-dihydro-1H-thieno[2,3-d]pyrimidine-5-carboxylic acid (CID 70943633) is 3-[2-fluoro-5-[1-(2-fluoro-6-methoxyphenyl)ethoxy]phenyl]-2,4-dioxo-5,6-dihydro-1H-thieno[2,3-d]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 3-[2-fluoro-5-[1-(2-fluoro-6-methoxyphenyl)ethoxy]phenyl]-2,4-dioxo-5,6-dihydro-1H-thieno[2,3-d]pyrimidine-5-carboxylic acid?
The canonical SMILES for 3-[2-fluoro-5-[1-(2-fluoro-6-methoxyphenyl)ethoxy]phenyl]-2,4-dioxo-5,6-dihydro-1H-thieno[2,3-d]pyrimidine-5-carboxylic acid is COc1cccc(F)c1C(C)Oc1ccc(F)c(-n2c(=O)[nH]c3c(c2=O)C(C(=O)O)CS3)c1.
What is the InChIKey of 3-[2-fluoro-5-[1-(2-fluoro-6-methoxyphenyl)ethoxy]phenyl]-2,4-dioxo-5,6-dihydro-1H-thieno[2,3-d]pyrimidine-5-carboxylic acid?
The InChIKey is OEBYQRQNUFXWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O6S/c1-10(17-14(24)4-3-5-16(17)31-2)32-11-6-7-13(23)15(8-11)26-20(27)18-12(21(28)29)9-33-19(18)25-22(26)30/h3-8,10,12H,9H2,1-2H3,(H,25,30)(H,28,29).
What are the key properties of 3-[2-fluoro-5-[1-(2-fluoro-6-methoxyphenyl)ethoxy]phenyl]-2,4-dioxo-5,6-dihydro-1H-thieno[2,3-d]pyrimidine-5-carboxylic acid?
3-[2-fluoro-5-[1-(2-fluoro-6-methoxyphenyl)ethoxy]phenyl]-2,4-dioxo-5,6-dihydro-1H-thieno[2,3-d]pyrimidine-5-carboxylic acid has a molecular weight of 476.46 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-5-[1-(2-fluoro-6-methoxyphenyl)ethoxy]phenyl]-2,4-dioxo-5,6-dihydro-1H-thieno[2,3-d]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 70943633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).