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

C5H3BrF2N2O2 — CID 63778001

IUPAC5-bromo-1-(difluoromethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C(F)F)cc1Br
InChIInChI=1S/C5H3BrF2N2O2/c6-2-1-10(4(7)8)5(12)9-3(2)11/h1,4H,(H,9,11,12)
InChIKeyXIRRKCBRLGZXEB-UHFFFAOYSA-N
MW240.99 g/mol
LogP0.69
Rot. Bonds1

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

5-bromo-1-(difluoromethyl)pyrimidine-2,4-dione (PubChem CID 63778001) has the molecular formula C5H3BrF2N2O2 and a molecular weight of 240.99 g/mol. Its IUPAC name is 5-bromo-1-(difluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-(difluoromethyl)pyrimidine-2,4-dione
PubChem CID63778001
Molecular FormulaC5H3BrF2N2O2
Molecular Weight240.99 g/mol
Exact Mass239.93
IUPAC Name5-bromo-1-(difluoromethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C(F)F)cc1Br
InChIInChI=1S/C5H3BrF2N2O2/c6-2-1-10(4(7)8)5(12)9-3(2)11/h1,4H,(H,9,11,12)
InChIKeyXIRRKCBRLGZXEB-UHFFFAOYSA-N
XLogP0.69
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.99
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(difluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-(difluoromethyl)pyrimidine-2,4-dione (CID 63778001) is 5-bromo-1-(difluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-(difluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-(difluoromethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(C(F)F)cc1Br.
What is the InChIKey of 5-bromo-1-(difluoromethyl)pyrimidine-2,4-dione?
The InChIKey is XIRRKCBRLGZXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrF2N2O2/c6-2-1-10(4(7)8)5(12)9-3(2)11/h1,4H,(H,9,11,12).
What are the key properties of 5-bromo-1-(difluoromethyl)pyrimidine-2,4-dione?
5-bromo-1-(difluoromethyl)pyrimidine-2,4-dione has a molecular weight of 240.99 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(difluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63778001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).