2-(5-chloro-2-fluorophenyl)-6,6-dimethyl-5,7-dihydro-3H-cyclopenta[d]pyrimidin-4-one

C15H14ClFN2O — CID 135598598

IUPAC2-(5-chloro-2-fluorophenyl)-6,6-dimethyl-5,7-dihydro-3H-cyclopenta[d]pyrimidin-4-one
SMILESCC1(C)Cc2nc(-c3cc(Cl)ccc3F)[nH]c(=O)c2C1
InChIInChI=1S/C15H14ClFN2O/c1-15(2)6-10-12(7-15)18-13(19-14(10)20)9-5-8(16)3-4-11(9)17/h3-5H,6-7H2,1-2H3,(H,18,19,20)
InChIKeyJFPFDLTWFSJCAN-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.35
Rot. Bonds1

About 2-(5-chloro-2-fluorophenyl)-6,6-dimethyl-5,7-dihydro-3H-cyclopenta[d]pyrimidin-4-one

2-(5-chloro-2-fluorophenyl)-6,6-dimethyl-5,7-dihydro-3H-cyclopenta[d]pyrimidin-4-one (PubChem CID 135598598) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-6,6-dimethyl-5,7-dihydro-3H-cyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-6,6-dimethyl-5,7-dihydro-3H-cyclopenta[d]pyrimidin-4-one
PubChem CID135598598
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name2-(5-chloro-2-fluorophenyl)-6,6-dimethyl-5,7-dihydro-3H-cyclopenta[d]pyrimidin-4-one
SMILESCC1(C)Cc2nc(-c3cc(Cl)ccc3F)[nH]c(=O)c2C1
InChIInChI=1S/C15H14ClFN2O/c1-15(2)6-10-12(7-15)18-13(19-14(10)20)9-5-8(16)3-4-11(9)17/h3-5H,6-7H2,1-2H3,(H,18,19,20)
InChIKeyJFPFDLTWFSJCAN-UHFFFAOYSA-N
XLogP3.35
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-6,6-dimethyl-5,7-dihydro-3H-cyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-6,6-dimethyl-5,7-dihydro-3H-cyclopenta[d]pyrimidin-4-one (CID 135598598) is 2-(5-chloro-2-fluorophenyl)-6,6-dimethyl-5,7-dihydro-3H-cyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-6,6-dimethyl-5,7-dihydro-3H-cyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-6,6-dimethyl-5,7-dihydro-3H-cyclopenta[d]pyrimidin-4-one is CC1(C)Cc2nc(-c3cc(Cl)ccc3F)[nH]c(=O)c2C1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-6,6-dimethyl-5,7-dihydro-3H-cyclopenta[d]pyrimidin-4-one?
The InChIKey is JFPFDLTWFSJCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-15(2)6-10-12(7-15)18-13(19-14(10)20)9-5-8(16)3-4-11(9)17/h3-5H,6-7H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-6,6-dimethyl-5,7-dihydro-3H-cyclopenta[d]pyrimidin-4-one?
2-(5-chloro-2-fluorophenyl)-6,6-dimethyl-5,7-dihydro-3H-cyclopenta[d]pyrimidin-4-one has a molecular weight of 292.74 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-6,6-dimethyl-5,7-dihydro-3H-cyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 135598598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).