3-(4-fluorophenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

C13H11FN2OS2 — CID 756752

IUPAC3-(4-fluorophenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2
InChIInChI=1S/C13H11FN2OS2/c1-18-13-15-10-6-7-19-11(10)12(17)16(13)9-4-2-8(14)3-5-9/h2-5H,6-7H2,1H3
InChIKeyGNDSJJVSEWEZCJ-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.74
Rot. Bonds2

About 3-(4-fluorophenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

3-(4-fluorophenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (PubChem CID 756752) has the molecular formula C13H11FN2OS2 and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
PubChem CID756752
Molecular FormulaC13H11FN2OS2
Molecular Weight294.38 g/mol
Exact Mass294.03
IUPAC Name3-(4-fluorophenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2
InChIInChI=1S/C13H11FN2OS2/c1-18-13-15-10-6-7-19-11(10)12(17)16(13)9-4-2-8(14)3-5-9/h2-5H,6-7H2,1H3
InChIKeyGNDSJJVSEWEZCJ-UHFFFAOYSA-N
XLogP2.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (CID 756752) is 3-(4-fluorophenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2.
What is the InChIKey of 3-(4-fluorophenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The InChIKey is GNDSJJVSEWEZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2OS2/c1-18-13-15-10-6-7-19-11(10)12(17)16(13)9-4-2-8(14)3-5-9/h2-5H,6-7H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
3-(4-fluorophenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one has a molecular weight of 294.38 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 756752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).