3-(4-fluorophenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione

C12H7FN2O2S — CID 3241221

IUPAC3-(4-fluorophenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2ccsc2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C12H7FN2O2S/c13-7-1-3-8(4-2-7)15-11(16)10-9(5-6-18-10)14-12(15)17/h1-6H,(H,14,17)
InChIKeyONADQZCQXMUNOL-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.88
Rot. Bonds1

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

3-(4-fluorophenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 3241221) has the molecular formula C12H7FN2O2S and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID3241221
Molecular FormulaC12H7FN2O2S
Molecular Weight262.27 g/mol
Exact Mass262.02
IUPAC Name3-(4-fluorophenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2ccsc2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C12H7FN2O2S/c13-7-1-3-8(4-2-7)15-11(16)10-9(5-6-18-10)14-12(15)17/h1-6H,(H,14,17)
InChIKeyONADQZCQXMUNOL-UHFFFAOYSA-N
XLogP1.88
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(4-fluorophenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione (CID 3241221) is 3-(4-fluorophenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-fluorophenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(4-fluorophenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione is O=c1[nH]c2ccsc2c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is ONADQZCQXMUNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O2S/c13-7-1-3-8(4-2-7)15-11(16)10-9(5-6-18-10)14-12(15)17/h1-6H,(H,14,17).
What are the key properties of 3-(4-fluorophenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
3-(4-fluorophenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 262.27 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 3241221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).