4-(2-chloro-4-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one

C16H10ClFN2O — CID 136769977

IUPAC4-(2-chloro-4-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccc(F)cc2Cl)nc(-c2ccccc2)[nH]1
InChIInChI=1S/C16H10ClFN2O/c17-13-8-11(18)6-7-12(13)14-9-15(21)20-16(19-14)10-4-2-1-3-5-10/h1-9H,(H,19,20,21)
InChIKeyLVYYZAPCWHKFDG-UHFFFAOYSA-N
MW300.72 g/mol
LogP3.90
Rot. Bonds2

About 4-(2-chloro-4-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one

4-(2-chloro-4-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one (PubChem CID 136769977) has the molecular formula C16H10ClFN2O and a molecular weight of 300.72 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one
PubChem CID136769977
Molecular FormulaC16H10ClFN2O
Molecular Weight300.72 g/mol
Exact Mass300.05
IUPAC Name4-(2-chloro-4-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccc(F)cc2Cl)nc(-c2ccccc2)[nH]1
InChIInChI=1S/C16H10ClFN2O/c17-13-8-11(18)6-7-12(13)14-9-15(21)20-16(19-14)10-4-2-1-3-5-10/h1-9H,(H,19,20,21)
InChIKeyLVYYZAPCWHKFDG-UHFFFAOYSA-N
XLogP3.90
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.72
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one (CID 136769977) is 4-(2-chloro-4-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one is O=c1cc(-c2ccc(F)cc2Cl)nc(-c2ccccc2)[nH]1.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one?
The InChIKey is LVYYZAPCWHKFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2O/c17-13-8-11(18)6-7-12(13)14-9-15(21)20-16(19-14)10-4-2-1-3-5-10/h1-9H,(H,19,20,21).
What are the key properties of 4-(2-chloro-4-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one?
4-(2-chloro-4-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one has a molecular weight of 300.72 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136769977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).