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

C15H13FN2OS — CID 47141897

IUPAC5-ethyl-2-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1c(C)sc2nc(-c3ccc(F)cc3)[nH]c(=O)c12
InChIInChI=1S/C15H13FN2OS/c1-3-11-8(2)20-15-12(11)14(19)17-13(18-15)9-4-6-10(16)7-5-9/h4-7H,3H2,1-2H3,(H,17,18,19)
InChIKeyCMXPKTWQXTVFMM-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.66
Rot. Bonds2

About 5-ethyl-2-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one

5-ethyl-2-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 47141897) has the molecular formula C15H13FN2OS and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-ethyl-2-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-ethyl-2-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID47141897
Molecular FormulaC15H13FN2OS
Molecular Weight288.35 g/mol
Exact Mass288.07
IUPAC Name5-ethyl-2-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1c(C)sc2nc(-c3ccc(F)cc3)[nH]c(=O)c12
InChIInChI=1S/C15H13FN2OS/c1-3-11-8(2)20-15-12(11)14(19)17-13(18-15)9-4-6-10(16)7-5-9/h4-7H,3H2,1-2H3,(H,17,18,19)
InChIKeyCMXPKTWQXTVFMM-UHFFFAOYSA-N
XLogP3.66
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-ethyl-2-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 47141897) is 5-ethyl-2-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-ethyl-2-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-ethyl-2-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is CCc1c(C)sc2nc(-c3ccc(F)cc3)[nH]c(=O)c12.
What is the InChIKey of 5-ethyl-2-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is CMXPKTWQXTVFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2OS/c1-3-11-8(2)20-15-12(11)14(19)17-13(18-15)9-4-6-10(16)7-5-9/h4-7H,3H2,1-2H3,(H,17,18,19).
What are the key properties of 5-ethyl-2-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
5-ethyl-2-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 288.35 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 47141897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).