6-bromo-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one

C9H9BrN2O4 — CID 11219965

IUPAC6-bromo-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one
SMILESO=c1nc2oc(Br)cc2cn1COCCO
InChIInChI=1S/C9H9BrN2O4/c10-7-3-6-4-12(5-15-2-1-13)9(14)11-8(6)16-7/h3-4,13H,1-2,5H2
InChIKeyLYBJOVKPAFOXEB-UHFFFAOYSA-N
MW289.09 g/mol
LogP0.72
Rot. Bonds4

About 6-bromo-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one

6-bromo-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one (PubChem CID 11219965) has the molecular formula C9H9BrN2O4 and a molecular weight of 289.09 g/mol. Its IUPAC name is 6-bromo-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name6-bromo-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one
PubChem CID11219965
Molecular FormulaC9H9BrN2O4
Molecular Weight289.09 g/mol
Exact Mass287.97
IUPAC Name6-bromo-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one
SMILESO=c1nc2oc(Br)cc2cn1COCCO
InChIInChI=1S/C9H9BrN2O4/c10-7-3-6-4-12(5-15-2-1-13)9(14)11-8(6)16-7/h3-4,13H,1-2,5H2
InChIKeyLYBJOVKPAFOXEB-UHFFFAOYSA-N
XLogP0.72
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.09
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one?
The IUPAC name of 6-bromo-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one (CID 11219965) is 6-bromo-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 6-bromo-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 6-bromo-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one is O=c1nc2oc(Br)cc2cn1COCCO.
What is the InChIKey of 6-bromo-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one?
The InChIKey is LYBJOVKPAFOXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O4/c10-7-3-6-4-12(5-15-2-1-13)9(14)11-8(6)16-7/h3-4,13H,1-2,5H2.
What are the key properties of 6-bromo-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one?
6-bromo-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one has a molecular weight of 289.09 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 11219965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).