5-bromo-1-ethylpyrimidine-2,4-dione

C6H7BrN2O2 — CID 638638

IUPAC5-bromo-1-ethylpyrimidine-2,4-dione
SMILESCCn1cc(Br)c(=O)[nH]c1=O
InChIInChI=1S/C6H7BrN2O2/c1-2-9-3-4(7)5(10)8-6(9)11/h3H,2H2,1H3,(H,8,10,11)
InChIKeyKIFUECYLAZKTOI-UHFFFAOYSA-N
MW219.04 g/mol
LogP0.32
Rot. Bonds1

About 5-bromo-1-ethylpyrimidine-2,4-dione

5-bromo-1-ethylpyrimidine-2,4-dione (PubChem CID 638638) has the molecular formula C6H7BrN2O2 and a molecular weight of 219.04 g/mol. Its IUPAC name is 5-bromo-1-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-ethylpyrimidine-2,4-dione
PubChem CID638638
Molecular FormulaC6H7BrN2O2
Molecular Weight219.04 g/mol
Exact Mass217.97
IUPAC Name5-bromo-1-ethylpyrimidine-2,4-dione
SMILESCCn1cc(Br)c(=O)[nH]c1=O
InChIInChI=1S/C6H7BrN2O2/c1-2-9-3-4(7)5(10)8-6(9)11/h3H,2H2,1H3,(H,8,10,11)
InChIKeyKIFUECYLAZKTOI-UHFFFAOYSA-N
XLogP0.32
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.04
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-ethylpyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-ethylpyrimidine-2,4-dione (CID 638638) is 5-bromo-1-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-ethylpyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-ethylpyrimidine-2,4-dione is CCn1cc(Br)c(=O)[nH]c1=O.
What is the InChIKey of 5-bromo-1-ethylpyrimidine-2,4-dione?
The InChIKey is KIFUECYLAZKTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O2/c1-2-9-3-4(7)5(10)8-6(9)11/h3H,2H2,1H3,(H,8,10,11).
What are the key properties of 5-bromo-1-ethylpyrimidine-2,4-dione?
5-bromo-1-ethylpyrimidine-2,4-dione has a molecular weight of 219.04 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 638638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).