5-bromo-2-(ethoxymethyl)-1H-pyrimidin-6-one

C7H9BrN2O2 — CID 66316575

IUPAC5-bromo-2-(ethoxymethyl)-1H-pyrimidin-6-one
SMILESCCOCc1ncc(Br)c(=O)[nH]1
InChIInChI=1S/C7H9BrN2O2/c1-2-12-4-6-9-3-5(8)7(11)10-6/h3H,2,4H2,1H3,(H,9,10,11)
InChIKeyQJHOVMUREPXAES-UHFFFAOYSA-N
MW233.06 g/mol
LogP1.07
Rot. Bonds3

About 5-bromo-2-(ethoxymethyl)-1H-pyrimidin-6-one

5-bromo-2-(ethoxymethyl)-1H-pyrimidin-6-one (PubChem CID 66316575) has the molecular formula C7H9BrN2O2 and a molecular weight of 233.06 g/mol. Its IUPAC name is 5-bromo-2-(ethoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(ethoxymethyl)-1H-pyrimidin-6-one
PubChem CID66316575
Molecular FormulaC7H9BrN2O2
Molecular Weight233.06 g/mol
Exact Mass231.98
IUPAC Name5-bromo-2-(ethoxymethyl)-1H-pyrimidin-6-one
SMILESCCOCc1ncc(Br)c(=O)[nH]1
InChIInChI=1S/C7H9BrN2O2/c1-2-12-4-6-9-3-5(8)7(11)10-6/h3H,2,4H2,1H3,(H,9,10,11)
InChIKeyQJHOVMUREPXAES-UHFFFAOYSA-N
XLogP1.07
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(ethoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(ethoxymethyl)-1H-pyrimidin-6-one (CID 66316575) is 5-bromo-2-(ethoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(ethoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(ethoxymethyl)-1H-pyrimidin-6-one is CCOCc1ncc(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-2-(ethoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is QJHOVMUREPXAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2/c1-2-12-4-6-9-3-5(8)7(11)10-6/h3H,2,4H2,1H3,(H,9,10,11).
What are the key properties of 5-bromo-2-(ethoxymethyl)-1H-pyrimidin-6-one?
5-bromo-2-(ethoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 233.06 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(ethoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 66316575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).