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

C15H15FN2OS2 — CID 3238661

IUPAC3-(4-fluorophenyl)-2-propan-2-ylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCC(C)Sc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2
InChIInChI=1S/C15H15FN2OS2/c1-9(2)21-15-17-12-7-8-20-13(12)14(19)18(15)11-5-3-10(16)4-6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyFNVMOGQARBZSIR-UHFFFAOYSA-N
MW322.43 g/mol
LogP3.52
Rot. Bonds3

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

3-(4-fluorophenyl)-2-propan-2-ylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (PubChem CID 3238661) has the molecular formula C15H15FN2OS2 and a molecular weight of 322.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-propan-2-ylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-propan-2-ylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
PubChem CID3238661
Molecular FormulaC15H15FN2OS2
Molecular Weight322.43 g/mol
Exact Mass322.06
IUPAC Name3-(4-fluorophenyl)-2-propan-2-ylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCC(C)Sc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2
InChIInChI=1S/C15H15FN2OS2/c1-9(2)21-15-17-12-7-8-20-13(12)14(19)18(15)11-5-3-10(16)4-6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyFNVMOGQARBZSIR-UHFFFAOYSA-N
XLogP3.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 53.52
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-propan-2-ylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-2-propan-2-ylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (CID 3238661) is 3-(4-fluorophenyl)-2-propan-2-ylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-2-propan-2-ylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-2-propan-2-ylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is CC(C)Sc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2.
What is the InChIKey of 3-(4-fluorophenyl)-2-propan-2-ylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The InChIKey is FNVMOGQARBZSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS2/c1-9(2)21-15-17-12-7-8-20-13(12)14(19)18(15)11-5-3-10(16)4-6-11/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-2-propan-2-ylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
3-(4-fluorophenyl)-2-propan-2-ylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one has a molecular weight of 322.43 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-propan-2-ylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 3238661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).