7-(2-fluorophenyl)-2,6-dimethyl-3H-thieno[3,2-d]pyrimidin-4-one

C14H11FN2OS — CID 136835872

IUPAC7-(2-fluorophenyl)-2,6-dimethyl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1nc2c(-c3ccccc3F)c(C)sc2c(=O)[nH]1
InChIInChI=1S/C14H11FN2OS/c1-7-11(9-5-3-4-6-10(9)15)12-13(19-7)14(18)17-8(2)16-12/h3-6H,1-2H3,(H,16,17,18)
InChIKeyFQYXCALEXZFUOT-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.41
Rot. Bonds1

About 7-(2-fluorophenyl)-2,6-dimethyl-3H-thieno[3,2-d]pyrimidin-4-one

7-(2-fluorophenyl)-2,6-dimethyl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 136835872) has the molecular formula C14H11FN2OS and a molecular weight of 274.32 g/mol. Its IUPAC name is 7-(2-fluorophenyl)-2,6-dimethyl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(2-fluorophenyl)-2,6-dimethyl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID136835872
Molecular FormulaC14H11FN2OS
Molecular Weight274.32 g/mol
Exact Mass274.06
IUPAC Name7-(2-fluorophenyl)-2,6-dimethyl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1nc2c(-c3ccccc3F)c(C)sc2c(=O)[nH]1
InChIInChI=1S/C14H11FN2OS/c1-7-11(9-5-3-4-6-10(9)15)12-13(19-7)14(18)17-8(2)16-12/h3-6H,1-2H3,(H,16,17,18)
InChIKeyFQYXCALEXZFUOT-UHFFFAOYSA-N
XLogP3.41
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluorophenyl)-2-methyl-1H-benzimidazole
CID 70913994
2-(2,6-difluorophenyl)-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889421
5-(2-fluorophenyl)-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one
CID 79439347
7-(4-chlorophenyl)-2-methyl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137266938
2-(2,6-difluorophenyl)-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889437
7-(4-fluoro-2-methylphenyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 160873555
5-(2-fluorophenyl)-4-hydroxy-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 79435149
2-(2-chlorophenyl)-5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868501
4-ethyl-2-(2-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136668750
5-fluoro-2-methyl-3H-quinazolin-4-one
CID 135438096
5-(2-fluorophenyl)-4-hydroxy-2-pentan-3-yl-1H-pyrimidin-6-one
CID 79438766
2-methyl-4,5-diphenyl-1H-pyrimidin-6-one
CID 162219901

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluorophenyl)-2,6-dimethyl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(2-fluorophenyl)-2,6-dimethyl-3H-thieno[3,2-d]pyrimidin-4-one (CID 136835872) is 7-(2-fluorophenyl)-2,6-dimethyl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(2-fluorophenyl)-2,6-dimethyl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(2-fluorophenyl)-2,6-dimethyl-3H-thieno[3,2-d]pyrimidin-4-one is Cc1nc2c(-c3ccccc3F)c(C)sc2c(=O)[nH]1.
What is the InChIKey of 7-(2-fluorophenyl)-2,6-dimethyl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is FQYXCALEXZFUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2OS/c1-7-11(9-5-3-4-6-10(9)15)12-13(19-7)14(18)17-8(2)16-12/h3-6H,1-2H3,(H,16,17,18).
What are the key properties of 7-(2-fluorophenyl)-2,6-dimethyl-3H-thieno[3,2-d]pyrimidin-4-one?
7-(2-fluorophenyl)-2,6-dimethyl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 274.32 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluorophenyl)-2,6-dimethyl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 136835872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).