5-bromo-3-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-one

C10H15BrN2O3 — CID 66308379

IUPAC5-bromo-3-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-one
SMILESCOCCOCCn1c(C)ncc(Br)c1=O
InChIInChI=1S/C10H15BrN2O3/c1-8-12-7-9(11)10(14)13(8)3-4-16-6-5-15-2/h7H,3-6H2,1-2H3
InChIKeyRNXRLXQZBWBECP-UHFFFAOYSA-N
MW291.14 g/mol
LogP0.98
Rot. Bonds6

About 5-bromo-3-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-one

5-bromo-3-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-one (PubChem CID 66308379) has the molecular formula C10H15BrN2O3 and a molecular weight of 291.14 g/mol. Its IUPAC name is 5-bromo-3-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-one
PubChem CID66308379
Molecular FormulaC10H15BrN2O3
Molecular Weight291.14 g/mol
Exact Mass290.03
IUPAC Name5-bromo-3-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-one
SMILESCOCCOCCn1c(C)ncc(Br)c1=O
InChIInChI=1S/C10H15BrN2O3/c1-8-12-7-9(11)10(14)13(8)3-4-16-6-5-15-2/h7H,3-6H2,1-2H3
InChIKeyRNXRLXQZBWBECP-UHFFFAOYSA-N
XLogP0.98
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 5-bromo-3-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-one?
The IUPAC name of 5-bromo-3-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-one (CID 66308379) is 5-bromo-3-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-one is COCCOCCn1c(C)ncc(Br)c1=O.
What is the InChIKey of 5-bromo-3-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-one?
The InChIKey is RNXRLXQZBWBECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O3/c1-8-12-7-9(11)10(14)13(8)3-4-16-6-5-15-2/h7H,3-6H2,1-2H3.
What are the key properties of 5-bromo-3-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-one?
5-bromo-3-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-one has a molecular weight of 291.14 g/mol, XLogP of 0.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-one is sourced from PubChem (CID 66308379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).