6-ethyl-2-(2-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one

C14H11FN2OS — CID 47141970

IUPAC6-ethyl-2-(2-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)[nH]c(-c3ccccc3F)nc2s1
InChIInChI=1S/C14H11FN2OS/c1-2-8-7-10-13(18)16-12(17-14(10)19-8)9-5-3-4-6-11(9)15/h3-7H,2H2,1H3,(H,16,17,18)
InChIKeyIMLZLEJUFVRKKL-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.35
Rot. Bonds2

About 6-ethyl-2-(2-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one

6-ethyl-2-(2-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 47141970) has the molecular formula C14H11FN2OS and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-ethyl-2-(2-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-2-(2-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID47141970
Molecular FormulaC14H11FN2OS
Molecular Weight274.32 g/mol
Exact Mass274.06
IUPAC Name6-ethyl-2-(2-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)[nH]c(-c3ccccc3F)nc2s1
InChIInChI=1S/C14H11FN2OS/c1-2-8-7-10-13(18)16-12(17-14(10)19-8)9-5-3-4-6-11(9)15/h3-7H,2H2,1H3,(H,16,17,18)
InChIKeyIMLZLEJUFVRKKL-UHFFFAOYSA-N
XLogP3.35
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-difluorophenyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889445
6-ethyl-2-(2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 63614303
4-ethyl-2-(2-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136668750
2-[(1R)-1-chloroethyl]-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 93213420
2-(2,2-dimethylpropyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 165482803
6-ethyl-2-propylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 46863185
2-(3-aminopropylsulfanyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82146503
methyl 6-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate
CID 18516114
2-(2-amino-2-ethylbutyl)sulfanyl-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 94751732
6-ethyl-2-(2-oxo-2-thiophen-2-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 47141917
2-(2,6-difluorophenyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 79516498
6-ethyl-2-[(2-fluorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 63614306

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(2-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-2-(2-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 47141970) is 6-ethyl-2-(2-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-2-(2-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-2-(2-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)[nH]c(-c3ccccc3F)nc2s1.
What is the InChIKey of 6-ethyl-2-(2-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is IMLZLEJUFVRKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2OS/c1-2-8-7-10-13(18)16-12(17-14(10)19-8)9-5-3-4-6-11(9)15/h3-7H,2H2,1H3,(H,16,17,18).
What are the key properties of 6-ethyl-2-(2-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
6-ethyl-2-(2-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 274.32 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(2-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 47141970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).