5-bromo-4-hydroxy-2-(2-methoxyethyl)-1H-pyrimidin-6-one

C7H9BrN2O3 — CID 66285964

IUPAC5-bromo-4-hydroxy-2-(2-methoxyethyl)-1H-pyrimidin-6-one
SMILESCOCCc1nc(O)c(Br)c(=O)[nH]1
InChIInChI=1S/C7H9BrN2O3/c1-13-3-2-4-9-6(11)5(8)7(12)10-4/h2-3H2,1H3,(H2,9,10,11,12)
InChIKeyJOMVXXDJIFZJDJ-UHFFFAOYSA-N
MW249.06 g/mol
LogP0.43
Rot. Bonds3

About 5-bromo-4-hydroxy-2-(2-methoxyethyl)-1H-pyrimidin-6-one

5-bromo-4-hydroxy-2-(2-methoxyethyl)-1H-pyrimidin-6-one (PubChem CID 66285964) has the molecular formula C7H9BrN2O3 and a molecular weight of 249.06 g/mol. Its IUPAC name is 5-bromo-4-hydroxy-2-(2-methoxyethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-hydroxy-2-(2-methoxyethyl)-1H-pyrimidin-6-one
PubChem CID66285964
Molecular FormulaC7H9BrN2O3
Molecular Weight249.06 g/mol
Exact Mass247.98
IUPAC Name5-bromo-4-hydroxy-2-(2-methoxyethyl)-1H-pyrimidin-6-one
SMILESCOCCc1nc(O)c(Br)c(=O)[nH]1
InChIInChI=1S/C7H9BrN2O3/c1-13-3-2-4-9-6(11)5(8)7(12)10-4/h2-3H2,1H3,(H2,9,10,11,12)
InChIKeyJOMVXXDJIFZJDJ-UHFFFAOYSA-N
XLogP0.43
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.06
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-hydroxy-2-(2-methoxyethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-hydroxy-2-(2-methoxyethyl)-1H-pyrimidin-6-one (CID 66285964) is 5-bromo-4-hydroxy-2-(2-methoxyethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-hydroxy-2-(2-methoxyethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-hydroxy-2-(2-methoxyethyl)-1H-pyrimidin-6-one is COCCc1nc(O)c(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-4-hydroxy-2-(2-methoxyethyl)-1H-pyrimidin-6-one?
The InChIKey is JOMVXXDJIFZJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O3/c1-13-3-2-4-9-6(11)5(8)7(12)10-4/h2-3H2,1H3,(H2,9,10,11,12).
What are the key properties of 5-bromo-4-hydroxy-2-(2-methoxyethyl)-1H-pyrimidin-6-one?
5-bromo-4-hydroxy-2-(2-methoxyethyl)-1H-pyrimidin-6-one has a molecular weight of 249.06 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-hydroxy-2-(2-methoxyethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 66285964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).