5-(2-bromo-4-fluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione

C13H10BrFN2O3 — CID 43339161

IUPAC5-(2-bromo-4-fluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(C(=O)c2ccc(F)cc2Br)c(=O)n(C)c1=O
InChIInChI=1S/C13H10BrFN2O3/c1-16-6-9(12(19)17(2)13(16)20)11(18)8-4-3-7(15)5-10(8)14/h3-6H,1-2H3
InChIKeyISJZHMHSDYNUCY-UHFFFAOYSA-N
MW341.14 g/mol
LogP1.22
Rot. Bonds2

About 5-(2-bromo-4-fluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione

5-(2-bromo-4-fluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 43339161) has the molecular formula C13H10BrFN2O3 and a molecular weight of 341.14 g/mol. Its IUPAC name is 5-(2-bromo-4-fluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-bromo-4-fluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID43339161
Molecular FormulaC13H10BrFN2O3
Molecular Weight341.14 g/mol
Exact Mass339.99
IUPAC Name5-(2-bromo-4-fluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(C(=O)c2ccc(F)cc2Br)c(=O)n(C)c1=O
InChIInChI=1S/C13H10BrFN2O3/c1-16-6-9(12(19)17(2)13(16)20)11(18)8-4-3-7(15)5-10(8)14/h3-6H,1-2H3
InChIKeyISJZHMHSDYNUCY-UHFFFAOYSA-N
XLogP1.22
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.14
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-fluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-(2-bromo-4-fluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione (CID 43339161) is 5-(2-bromo-4-fluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-bromo-4-fluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-(2-bromo-4-fluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(C(=O)c2ccc(F)cc2Br)c(=O)n(C)c1=O.
What is the InChIKey of 5-(2-bromo-4-fluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is ISJZHMHSDYNUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O3/c1-16-6-9(12(19)17(2)13(16)20)11(18)8-4-3-7(15)5-10(8)14/h3-6H,1-2H3.
What are the key properties of 5-(2-bromo-4-fluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione?
5-(2-bromo-4-fluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 341.14 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-fluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 43339161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).