5-acetyl-3-(4-chloro-2-fluorophenyl)-1H-pyrimidine-2,4-dione

C12H8ClFN2O3 — CID 80643279

IUPAC5-acetyl-3-(4-chloro-2-fluorophenyl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(-c2ccc(Cl)cc2F)c1=O
InChIInChI=1S/C12H8ClFN2O3/c1-6(17)8-5-15-12(19)16(11(8)18)10-3-2-7(13)4-9(10)14/h2-5H,1H3,(H,15,19)
InChIKeyFXVFPXQTIZKELD-UHFFFAOYSA-N
MW282.66 g/mol
LogP1.52
Rot. Bonds2

About 5-acetyl-3-(4-chloro-2-fluorophenyl)-1H-pyrimidine-2,4-dione

5-acetyl-3-(4-chloro-2-fluorophenyl)-1H-pyrimidine-2,4-dione (PubChem CID 80643279) has the molecular formula C12H8ClFN2O3 and a molecular weight of 282.66 g/mol. Its IUPAC name is 5-acetyl-3-(4-chloro-2-fluorophenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-(4-chloro-2-fluorophenyl)-1H-pyrimidine-2,4-dione
PubChem CID80643279
Molecular FormulaC12H8ClFN2O3
Molecular Weight282.66 g/mol
Exact Mass282.02
IUPAC Name5-acetyl-3-(4-chloro-2-fluorophenyl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(-c2ccc(Cl)cc2F)c1=O
InChIInChI=1S/C12H8ClFN2O3/c1-6(17)8-5-15-12(19)16(11(8)18)10-3-2-7(13)4-9(10)14/h2-5H,1H3,(H,15,19)
InChIKeyFXVFPXQTIZKELD-UHFFFAOYSA-N
XLogP1.52
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.66
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-Chloroanilino)-1,3-dimethylpyrimidine-2,4-dione
CID 777117
1-allyl-N-(4-chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 1486110
5-acetyl-1-(4-chlorophenyl)-2,4(1H,3H)-pyrimidinedione
CID 3619026
4-amino-N-(3-chlorophenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
CID 4792068
6-(4-chloroanilino)-3-methyl-2,4(1H,3H)-pyrimidinedione
CID 777252
N-(4-chlorophenyl)-6-hydroxy-N-methyl-4-(trifluoromethyl)nicotinamide
CID 2727143
3-(4-chlorophenyl)-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione
CID 396879
5-acetyl-1-(4-chlorophenyl)-3-(4-fluorobenzyl)-2,4(1H,3H)-pyrimidinedione
CID 3845289
N-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 2421723
Trimethylammonium 5-acetyl-3-(3-chlorophenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
CID 16682050
5-Pyrimidinecarboxamide, 1,2,3,4-tetrahydro-6-amino-N-(4-chlorophenyl)-1,3-dimethyl-2,4-dioxo-
CID 3049070
N-(4-chlorophenyl)-6-hydroxynicotinamide
CID 8762448

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-(4-chloro-2-fluorophenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-(4-chloro-2-fluorophenyl)-1H-pyrimidine-2,4-dione (CID 80643279) is 5-acetyl-3-(4-chloro-2-fluorophenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-(4-chloro-2-fluorophenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-(4-chloro-2-fluorophenyl)-1H-pyrimidine-2,4-dione is CC(=O)c1c[nH]c(=O)n(-c2ccc(Cl)cc2F)c1=O.
What is the InChIKey of 5-acetyl-3-(4-chloro-2-fluorophenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is FXVFPXQTIZKELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O3/c1-6(17)8-5-15-12(19)16(11(8)18)10-3-2-7(13)4-9(10)14/h2-5H,1H3,(H,15,19).
What are the key properties of 5-acetyl-3-(4-chloro-2-fluorophenyl)-1H-pyrimidine-2,4-dione?
5-acetyl-3-(4-chloro-2-fluorophenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 282.66 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-(4-chloro-2-fluorophenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 80643279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).