2-(2-fluorophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one

C14H13FN2OS — CID 4269377

IUPAC2-(2-fluorophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2c(c1C)C(=O)NC(c1ccccc1F)N2
InChIInChI=1S/C14H13FN2OS/c1-7-8(2)19-14-11(7)13(18)16-12(17-14)9-5-3-4-6-10(9)15/h3-6,12,17H,1-2H3,(H,16,18)
InChIKeyWXXLTKXXCJRALK-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.36
Rot. Bonds1

About 2-(2-fluorophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one

2-(2-fluorophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 4269377) has the molecular formula C14H13FN2OS and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
PubChem CID4269377
Molecular FormulaC14H13FN2OS
Molecular Weight276.34 g/mol
Exact Mass276.07
IUPAC Name2-(2-fluorophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2c(c1C)C(=O)NC(c1ccccc1F)N2
InChIInChI=1S/C14H13FN2OS/c1-7-8(2)19-14-11(7)13(18)16-12(17-14)9-5-3-4-6-10(9)15/h3-6,12,17H,1-2H3,(H,16,18)
InChIKeyWXXLTKXXCJRALK-UHFFFAOYSA-N
XLogP3.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2-fluorophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one (CID 4269377) is 2-(2-fluorophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-fluorophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-fluorophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one is Cc1sc2c(c1C)C(=O)NC(c1ccccc1F)N2.
What is the InChIKey of 2-(2-fluorophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is WXXLTKXXCJRALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2OS/c1-7-8(2)19-14-11(7)13(18)16-12(17-14)9-5-3-4-6-10(9)15/h3-6,12,17H,1-2H3,(H,16,18).
What are the key properties of 2-(2-fluorophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
2-(2-fluorophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 276.34 g/mol, XLogP of 3.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 4269377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).