2-(2-chloro-4-fluorophenyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

C12H10ClFN2O2 — CID 63611432

IUPAC2-(2-chloro-4-fluorophenyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(-c2ccc(F)cc2Cl)[nH]c1=O
InChIInChI=1S/C12H10ClFN2O2/c1-2-7-11(17)15-10(16-12(7)18)8-4-3-6(14)5-9(8)13/h3-5H,2H2,1H3,(H2,15,16,17,18)
InChIKeyJUHZGEMEJOVTNW-UHFFFAOYSA-N
MW268.68 g/mol
LogP2.50
Rot. Bonds2

About 2-(2-chloro-4-fluorophenyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

2-(2-chloro-4-fluorophenyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 63611432) has the molecular formula C12H10ClFN2O2 and a molecular weight of 268.68 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID63611432
Molecular FormulaC12H10ClFN2O2
Molecular Weight268.68 g/mol
Exact Mass268.04
IUPAC Name2-(2-chloro-4-fluorophenyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(-c2ccc(F)cc2Cl)[nH]c1=O
InChIInChI=1S/C12H10ClFN2O2/c1-2-7-11(17)15-10(16-12(7)18)8-4-3-6(14)5-9(8)13/h3-5H,2H2,1H3,(H2,15,16,17,18)
InChIKeyJUHZGEMEJOVTNW-UHFFFAOYSA-N
XLogP2.50
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.68
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (CID 63611432) is 2-(2-chloro-4-fluorophenyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is CCc1c(O)nc(-c2ccc(F)cc2Cl)[nH]c1=O.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is JUHZGEMEJOVTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2/c1-2-7-11(17)15-10(16-12(7)18)8-4-3-6(14)5-9(8)13/h3-5H,2H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-(2-chloro-4-fluorophenyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
2-(2-chloro-4-fluorophenyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 268.68 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 63611432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).