3-(4-fluorophenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione

C18H16FN3O3S — CID 3236450

IUPAC3-(4-fluorophenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=C(Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2sccc21)N1CCCC1
InChIInChI=1S/C18H16FN3O3S/c19-12-3-5-13(6-4-12)22-17(24)16-14(7-10-26-16)21(18(22)25)11-15(23)20-8-1-2-9-20/h3-7,10H,1-2,8-9,11H2
InChIKeyUYUXABQUSOMEID-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.98
Rot. Bonds3

About 3-(4-fluorophenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione

3-(4-fluorophenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 3236450) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID3236450
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC Name3-(4-fluorophenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=C(Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2sccc21)N1CCCC1
InChIInChI=1S/C18H16FN3O3S/c19-12-3-5-13(6-4-12)22-17(24)16-14(7-10-26-16)21(18(22)25)11-15(23)20-8-1-2-9-20/h3-7,10H,1-2,8-9,11H2
InChIKeyUYUXABQUSOMEID-UHFFFAOYSA-N
XLogP1.98
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(4-fluorophenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione (CID 3236450) is 3-(4-fluorophenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(4-fluorophenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione is O=C(Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2sccc21)N1CCCC1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is UYUXABQUSOMEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c19-12-3-5-13(6-4-12)22-17(24)16-14(7-10-26-16)21(18(22)25)11-15(23)20-8-1-2-9-20/h3-7,10H,1-2,8-9,11H2.
What are the key properties of 3-(4-fluorophenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione?
3-(4-fluorophenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 373.41 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 3236450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).