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

C15H15FN2OS — CID 20897244

IUPAC4-[(4-fluorophenyl)methylsulfanyl]-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
SMILESCn1c2c(c(SCc3ccc(F)cc3)nc1=O)CCC2
InChIInChI=1S/C15H15FN2OS/c1-18-13-4-2-3-12(13)14(17-15(18)19)20-9-10-5-7-11(16)8-6-10/h5-8H,2-4,9H2,1H3
InChIKeyORZAPXRYQGGOAR-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.70
Rot. Bonds3

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

4-[(4-fluorophenyl)methylsulfanyl]-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one (PubChem CID 20897244) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methylsulfanyl]-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methylsulfanyl]-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
PubChem CID20897244
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name4-[(4-fluorophenyl)methylsulfanyl]-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
SMILESCn1c2c(c(SCc3ccc(F)cc3)nc1=O)CCC2
InChIInChI=1S/C15H15FN2OS/c1-18-13-4-2-3-12(13)14(17-15(18)19)20-9-10-5-7-11(16)8-6-10/h5-8H,2-4,9H2,1H3
InChIKeyORZAPXRYQGGOAR-UHFFFAOYSA-N
XLogP2.70
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methylsulfanyl]-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
The IUPAC name of 4-[(4-fluorophenyl)methylsulfanyl]-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one (CID 20897244) is 4-[(4-fluorophenyl)methylsulfanyl]-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methylsulfanyl]-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)methylsulfanyl]-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one is Cn1c2c(c(SCc3ccc(F)cc3)nc1=O)CCC2.
What is the InChIKey of 4-[(4-fluorophenyl)methylsulfanyl]-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
The InChIKey is ORZAPXRYQGGOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-18-13-4-2-3-12(13)14(17-15(18)19)20-9-10-5-7-11(16)8-6-10/h5-8H,2-4,9H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)methylsulfanyl]-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
4-[(4-fluorophenyl)methylsulfanyl]-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one has a molecular weight of 290.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methylsulfanyl]-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one is sourced from PubChem (CID 20897244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).