5-bromo-1-(2,2-difluoroethyl)pyrimidine-2,4-dione

C6H5BrF2N2O2 — CID 63779096

IUPAC5-bromo-1-(2,2-difluoroethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CC(F)F)cc1Br
InChIInChI=1S/C6H5BrF2N2O2/c7-3-1-11(2-4(8)9)6(13)10-5(3)12/h1,4H,2H2,(H,10,12,13)
InChIKeyUHMIXUFKKJIRFQ-UHFFFAOYSA-N
MW255.02 g/mol
LogP0.56
Rot. Bonds2

About 5-bromo-1-(2,2-difluoroethyl)pyrimidine-2,4-dione

5-bromo-1-(2,2-difluoroethyl)pyrimidine-2,4-dione (PubChem CID 63779096) has the molecular formula C6H5BrF2N2O2 and a molecular weight of 255.02 g/mol. Its IUPAC name is 5-bromo-1-(2,2-difluoroethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-(2,2-difluoroethyl)pyrimidine-2,4-dione
PubChem CID63779096
Molecular FormulaC6H5BrF2N2O2
Molecular Weight255.02 g/mol
Exact Mass253.95
IUPAC Name5-bromo-1-(2,2-difluoroethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CC(F)F)cc1Br
InChIInChI=1S/C6H5BrF2N2O2/c7-3-1-11(2-4(8)9)6(13)10-5(3)12/h1,4H,2H2,(H,10,12,13)
InChIKeyUHMIXUFKKJIRFQ-UHFFFAOYSA-N
XLogP0.56
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.02
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2,2-difluoroethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-(2,2-difluoroethyl)pyrimidine-2,4-dione (CID 63779096) is 5-bromo-1-(2,2-difluoroethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-(2,2-difluoroethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-(2,2-difluoroethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(CC(F)F)cc1Br.
What is the InChIKey of 5-bromo-1-(2,2-difluoroethyl)pyrimidine-2,4-dione?
The InChIKey is UHMIXUFKKJIRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF2N2O2/c7-3-1-11(2-4(8)9)6(13)10-5(3)12/h1,4H,2H2,(H,10,12,13).
What are the key properties of 5-bromo-1-(2,2-difluoroethyl)pyrimidine-2,4-dione?
5-bromo-1-(2,2-difluoroethyl)pyrimidine-2,4-dione has a molecular weight of 255.02 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2,2-difluoroethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63779096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).