2-(5-bromo-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide

C9H12BrN3O3 — CID 66308707

IUPAC2-(5-bromo-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1cncc(Br)c1=O
InChIInChI=1S/C9H12BrN3O3/c1-16-3-2-12-8(14)5-13-6-11-4-7(10)9(13)15/h4,6H,2-3,5H2,1H3,(H,12,14)
InChIKeyUHYNLLPJOXUMEX-UHFFFAOYSA-N
MW290.12 g/mol
LogP-0.23
Rot. Bonds5

About 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide

2-(5-bromo-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 66308707) has the molecular formula C9H12BrN3O3 and a molecular weight of 290.12 g/mol. Its IUPAC name is 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
PubChem CID66308707
Molecular FormulaC9H12BrN3O3
Molecular Weight290.12 g/mol
Exact Mass289.01
IUPAC Name2-(5-bromo-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1cncc(Br)c1=O
InChIInChI=1S/C9H12BrN3O3/c1-16-3-2-12-8(14)5-13-6-11-4-7(10)9(13)15/h4,6H,2-3,5H2,1H3,(H,12,14)
InChIKeyUHYNLLPJOXUMEX-UHFFFAOYSA-N
XLogP-0.23
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
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 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide (CID 66308707) is 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1cncc(Br)c1=O.
What is the InChIKey of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is UHYNLLPJOXUMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O3/c1-16-3-2-12-8(14)5-13-6-11-4-7(10)9(13)15/h4,6H,2-3,5H2,1H3,(H,12,14).
What are the key properties of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide?
2-(5-bromo-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 290.12 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 66308707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).