5-bromo-3-(ethoxymethyl)pyrimidin-4-one

C7H9BrN2O2 — CID 66309143

IUPAC5-bromo-3-(ethoxymethyl)pyrimidin-4-one
SMILESCCOCn1cncc(Br)c1=O
InChIInChI=1S/C7H9BrN2O2/c1-2-12-5-10-4-9-3-6(8)7(10)11/h3-4H,2,5H2,1H3
InChIKeyLZBCINSUJDGZSX-UHFFFAOYSA-N
MW233.06 g/mol
LogP1.00
Rot. Bonds3

About 5-bromo-3-(ethoxymethyl)pyrimidin-4-one

5-bromo-3-(ethoxymethyl)pyrimidin-4-one (PubChem CID 66309143) has the molecular formula C7H9BrN2O2 and a molecular weight of 233.06 g/mol. Its IUPAC name is 5-bromo-3-(ethoxymethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-(ethoxymethyl)pyrimidin-4-one
PubChem CID66309143
Molecular FormulaC7H9BrN2O2
Molecular Weight233.06 g/mol
Exact Mass231.98
IUPAC Name5-bromo-3-(ethoxymethyl)pyrimidin-4-one
SMILESCCOCn1cncc(Br)c1=O
InChIInChI=1S/C7H9BrN2O2/c1-2-12-5-10-4-9-3-6(8)7(10)11/h3-4H,2,5H2,1H3
InChIKeyLZBCINSUJDGZSX-UHFFFAOYSA-N
XLogP1.00
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(ethoxymethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-3-(ethoxymethyl)pyrimidin-4-one (CID 66309143) is 5-bromo-3-(ethoxymethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-(ethoxymethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-(ethoxymethyl)pyrimidin-4-one is CCOCn1cncc(Br)c1=O.
What is the InChIKey of 5-bromo-3-(ethoxymethyl)pyrimidin-4-one?
The InChIKey is LZBCINSUJDGZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2/c1-2-12-5-10-4-9-3-6(8)7(10)11/h3-4H,2,5H2,1H3.
What are the key properties of 5-bromo-3-(ethoxymethyl)pyrimidin-4-one?
5-bromo-3-(ethoxymethyl)pyrimidin-4-one has a molecular weight of 233.06 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(ethoxymethyl)pyrimidin-4-one is sourced from PubChem (CID 66309143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).