3-ethyl-6-[(E)-2-(2-fluorophenyl)ethenyl]-5-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione

C17H15FN2O2S — CID 24960182

IUPAC3-ethyl-6-[(E)-2-(2-fluorophenyl)ethenyl]-5-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c2sc(/C=C/c3ccccc3F)c(C)c2c1=O
InChIInChI=1S/C17H15FN2O2S/c1-3-20-16(21)14-10(2)13(23-15(14)19-17(20)22)9-8-11-6-4-5-7-12(11)18/h4-9H,3H2,1-2H3,(H,19,22)/b9-8+
InChIKeyBLSAUMXBWNUVHN-CMDGGOBGSA-N
MW330.38 g/mol
LogP3.39
Rot. Bonds3

About 3-ethyl-6-[(E)-2-(2-fluorophenyl)ethenyl]-5-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione

3-ethyl-6-[(E)-2-(2-fluorophenyl)ethenyl]-5-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 24960182) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-ethyl-6-[(E)-2-(2-fluorophenyl)ethenyl]-5-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-6-[(E)-2-(2-fluorophenyl)ethenyl]-5-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID24960182
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC Name3-ethyl-6-[(E)-2-(2-fluorophenyl)ethenyl]-5-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c2sc(/C=C/c3ccccc3F)c(C)c2c1=O
InChIInChI=1S/C17H15FN2O2S/c1-3-20-16(21)14-10(2)13(23-15(14)19-17(20)22)9-8-11-6-4-5-7-12(11)18/h4-9H,3H2,1-2H3,(H,19,22)/b9-8+
InChIKeyBLSAUMXBWNUVHN-CMDGGOBGSA-N
XLogP3.39
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-[(E)-2-(2-fluorophenyl)ethenyl]-5-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-ethyl-6-[(E)-2-(2-fluorophenyl)ethenyl]-5-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione (CID 24960182) is 3-ethyl-6-[(E)-2-(2-fluorophenyl)ethenyl]-5-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-ethyl-6-[(E)-2-(2-fluorophenyl)ethenyl]-5-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-ethyl-6-[(E)-2-(2-fluorophenyl)ethenyl]-5-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione is CCn1c(=O)[nH]c2sc(/C=C/c3ccccc3F)c(C)c2c1=O.
What is the InChIKey of 3-ethyl-6-[(E)-2-(2-fluorophenyl)ethenyl]-5-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is BLSAUMXBWNUVHN-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-3-20-16(21)14-10(2)13(23-15(14)19-17(20)22)9-8-11-6-4-5-7-12(11)18/h4-9H,3H2,1-2H3,(H,19,22)/b9-8+.
What are the key properties of 3-ethyl-6-[(E)-2-(2-fluorophenyl)ethenyl]-5-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
3-ethyl-6-[(E)-2-(2-fluorophenyl)ethenyl]-5-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 330.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-[(E)-2-(2-fluorophenyl)ethenyl]-5-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 24960182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).