2-(4-chloro-3-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one

C16H9ClF2N2O — CID 135987217

IUPAC2-(4-chloro-3-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccc(F)cc2)nc(-c2ccc(Cl)c(F)c2)[nH]1
InChIInChI=1S/C16H9ClF2N2O/c17-12-6-3-10(7-13(12)19)16-20-14(8-15(22)21-16)9-1-4-11(18)5-2-9/h1-8H,(H,20,21,22)
InChIKeyFYKKVUHGCGWPTH-UHFFFAOYSA-N
MW318.71 g/mol
LogP4.04
Rot. Bonds2

About 2-(4-chloro-3-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one

2-(4-chloro-3-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one (PubChem CID 135987217) has the molecular formula C16H9ClF2N2O and a molecular weight of 318.71 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one
PubChem CID135987217
Molecular FormulaC16H9ClF2N2O
Molecular Weight318.71 g/mol
Exact Mass318.04
IUPAC Name2-(4-chloro-3-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccc(F)cc2)nc(-c2ccc(Cl)c(F)c2)[nH]1
InChIInChI=1S/C16H9ClF2N2O/c17-12-6-3-10(7-13(12)19)16-20-14(8-15(22)21-16)9-1-4-11(18)5-2-9/h1-8H,(H,20,21,22)
InChIKeyFYKKVUHGCGWPTH-UHFFFAOYSA-N
XLogP4.04
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.71
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Chlorophenyl)-6-methyl-4-pyrimidinol
CID 135473093
5-(4-chlorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 16457428
3-(4-Chlorophenyl)-2-(trifluoromethyl)-5-(2,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 51357367
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 136262715
2-[(2,6-dichlorophenyl)methyl]-4-phenyl-1H-pyrimidin-6-one
CID 135418771
5-benzyl-3-(4-chlorophenyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 1298403
6-chloro-3-(4-chlorophenyl)-5-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 130192955
2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 136227799
5-Chloro-2,6-diphenyl-4-pyrimidinol
CID 135494913
3-(4-chlorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 4912540
2-(4-Fluorophenyl)-6-methylpyrimidin-4(1H)-one
CID 135629608
5-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 17079185

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one (CID 135987217) is 2-(4-chloro-3-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one is O=c1cc(-c2ccc(F)cc2)nc(-c2ccc(Cl)c(F)c2)[nH]1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one?
The InChIKey is FYKKVUHGCGWPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF2N2O/c17-12-6-3-10(7-13(12)19)16-20-14(8-15(22)21-16)9-1-4-11(18)5-2-9/h1-8H,(H,20,21,22).
What are the key properties of 2-(4-chloro-3-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one?
2-(4-chloro-3-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one has a molecular weight of 318.71 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135987217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).