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

C8H11BrN2O2 — CID 66316362

IUPAC5-bromo-2-(1-ethoxyethyl)-1H-pyrimidin-6-one
SMILESCCOC(C)c1ncc(Br)c(=O)[nH]1
InChIInChI=1S/C8H11BrN2O2/c1-3-13-5(2)7-10-4-6(9)8(12)11-7/h4-5H,3H2,1-2H3,(H,10,11,12)
InChIKeyGJGUKCNCAFPOJY-UHFFFAOYSA-N
MW247.09 g/mol
LogP1.63
Rot. Bonds3

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

5-bromo-2-(1-ethoxyethyl)-1H-pyrimidin-6-one (PubChem CID 66316362) has the molecular formula C8H11BrN2O2 and a molecular weight of 247.09 g/mol. Its IUPAC name is 5-bromo-2-(1-ethoxyethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(1-ethoxyethyl)-1H-pyrimidin-6-one
PubChem CID66316362
Molecular FormulaC8H11BrN2O2
Molecular Weight247.09 g/mol
Exact Mass246.00
IUPAC Name5-bromo-2-(1-ethoxyethyl)-1H-pyrimidin-6-one
SMILESCCOC(C)c1ncc(Br)c(=O)[nH]1
InChIInChI=1S/C8H11BrN2O2/c1-3-13-5(2)7-10-4-6(9)8(12)11-7/h4-5H,3H2,1-2H3,(H,10,11,12)
InChIKeyGJGUKCNCAFPOJY-UHFFFAOYSA-N
XLogP1.63
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-ethoxyethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(1-ethoxyethyl)-1H-pyrimidin-6-one (CID 66316362) is 5-bromo-2-(1-ethoxyethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(1-ethoxyethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(1-ethoxyethyl)-1H-pyrimidin-6-one is CCOC(C)c1ncc(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-2-(1-ethoxyethyl)-1H-pyrimidin-6-one?
The InChIKey is GJGUKCNCAFPOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O2/c1-3-13-5(2)7-10-4-6(9)8(12)11-7/h4-5H,3H2,1-2H3,(H,10,11,12).
What are the key properties of 5-bromo-2-(1-ethoxyethyl)-1H-pyrimidin-6-one?
5-bromo-2-(1-ethoxyethyl)-1H-pyrimidin-6-one has a molecular weight of 247.09 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-ethoxyethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 66316362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).