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

C19H21FN2OS — CID 20897260

IUPAC1-cyclopentyl-4-[(2-fluorophenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
SMILESO=c1nc(SCc2ccccc2F)c2c(n1C1CCCC1)CCC2
InChIInChI=1S/C19H21FN2OS/c20-16-10-4-1-6-13(16)12-24-18-15-9-5-11-17(15)22(19(23)21-18)14-7-2-3-8-14/h1,4,6,10,14H,2-3,5,7-9,11-12H2
InChIKeyGSTFRPOFIPIBBA-UHFFFAOYSA-N
MW344.45 g/mol
LogP4.28
Rot. Bonds4

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

1-cyclopentyl-4-[(2-fluorophenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one (PubChem CID 20897260) has the molecular formula C19H21FN2OS and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-cyclopentyl-4-[(2-fluorophenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[(2-fluorophenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
PubChem CID20897260
Molecular FormulaC19H21FN2OS
Molecular Weight344.45 g/mol
Exact Mass344.14
IUPAC Name1-cyclopentyl-4-[(2-fluorophenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
SMILESO=c1nc(SCc2ccccc2F)c2c(n1C1CCCC1)CCC2
InChIInChI=1S/C19H21FN2OS/c20-16-10-4-1-6-13(16)12-24-18-15-9-5-11-17(15)22(19(23)21-18)14-7-2-3-8-14/h1,4,6,10,14H,2-3,5,7-9,11-12H2
InChIKeyGSTFRPOFIPIBBA-UHFFFAOYSA-N
XLogP4.28
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[(2-fluorophenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
The IUPAC name of 1-cyclopentyl-4-[(2-fluorophenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one (CID 20897260) is 1-cyclopentyl-4-[(2-fluorophenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-[(2-fluorophenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
The canonical SMILES for 1-cyclopentyl-4-[(2-fluorophenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one is O=c1nc(SCc2ccccc2F)c2c(n1C1CCCC1)CCC2.
What is the InChIKey of 1-cyclopentyl-4-[(2-fluorophenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
The InChIKey is GSTFRPOFIPIBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2OS/c20-16-10-4-1-6-13(16)12-24-18-15-9-5-11-17(15)22(19(23)21-18)14-7-2-3-8-14/h1,4,6,10,14H,2-3,5,7-9,11-12H2.
What are the key properties of 1-cyclopentyl-4-[(2-fluorophenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
1-cyclopentyl-4-[(2-fluorophenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one has a molecular weight of 344.45 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[(2-fluorophenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one is sourced from PubChem (CID 20897260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).