4-[(2-fluorophenyl)methylsulfanyl]-1-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one

C17H19FN2OS — CID 35572511

IUPAC4-[(2-fluorophenyl)methylsulfanyl]-1-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
SMILESCCCn1c2c(c(SCc3ccccc3F)nc1=O)CCC2
InChIInChI=1S/C17H19FN2OS/c1-2-10-20-15-9-5-7-13(15)16(19-17(20)21)22-11-12-6-3-4-8-14(12)18/h3-4,6,8H,2,5,7,9-11H2,1H3
InChIKeyFVKJDQXJJPOMQL-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.57
Rot. Bonds5

About 4-[(2-fluorophenyl)methylsulfanyl]-1-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one

4-[(2-fluorophenyl)methylsulfanyl]-1-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one (PubChem CID 35572511) has the molecular formula C17H19FN2OS and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methylsulfanyl]-1-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methylsulfanyl]-1-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
PubChem CID35572511
Molecular FormulaC17H19FN2OS
Molecular Weight318.42 g/mol
Exact Mass318.12
IUPAC Name4-[(2-fluorophenyl)methylsulfanyl]-1-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
SMILESCCCn1c2c(c(SCc3ccccc3F)nc1=O)CCC2
InChIInChI=1S/C17H19FN2OS/c1-2-10-20-15-9-5-7-13(15)16(19-17(20)21)22-11-12-6-3-4-8-14(12)18/h3-4,6,8H,2,5,7,9-11H2,1H3
InChIKeyFVKJDQXJJPOMQL-UHFFFAOYSA-N
XLogP3.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methylsulfanyl]-1-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
The IUPAC name of 4-[(2-fluorophenyl)methylsulfanyl]-1-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one (CID 35572511) is 4-[(2-fluorophenyl)methylsulfanyl]-1-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one.
What is the SMILES notation for 4-[(2-fluorophenyl)methylsulfanyl]-1-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
The canonical SMILES for 4-[(2-fluorophenyl)methylsulfanyl]-1-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one is CCCn1c2c(c(SCc3ccccc3F)nc1=O)CCC2.
What is the InChIKey of 4-[(2-fluorophenyl)methylsulfanyl]-1-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
The InChIKey is FVKJDQXJJPOMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2OS/c1-2-10-20-15-9-5-7-13(15)16(19-17(20)21)22-11-12-6-3-4-8-14(12)18/h3-4,6,8H,2,5,7,9-11H2,1H3.
What are the key properties of 4-[(2-fluorophenyl)methylsulfanyl]-1-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
4-[(2-fluorophenyl)methylsulfanyl]-1-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one has a molecular weight of 318.42 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methylsulfanyl]-1-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one is sourced from PubChem (CID 35572511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).