2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide

C11H16BrN3O3 — CID 66308173

IUPAC2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1c(C)ncc(Br)c1=O
InChIInChI=1S/C11H16BrN3O3/c1-8-14-6-9(12)11(17)15(8)7-10(16)13-4-3-5-18-2/h6H,3-5,7H2,1-2H3,(H,13,16)
InChIKeyFFRIULQBQVSHMB-UHFFFAOYSA-N
MW318.17 g/mol
LogP0.47
Rot. Bonds6

About 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide

2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide (PubChem CID 66308173) has the molecular formula C11H16BrN3O3 and a molecular weight of 318.17 g/mol. Its IUPAC name is 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
PubChem CID66308173
Molecular FormulaC11H16BrN3O3
Molecular Weight318.17 g/mol
Exact Mass317.04
IUPAC Name2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1c(C)ncc(Br)c1=O
InChIInChI=1S/C11H16BrN3O3/c1-8-14-6-9(12)11(17)15(8)7-10(16)13-4-3-5-18-2/h6H,3-5,7H2,1-2H3,(H,13,16)
InChIKeyFFRIULQBQVSHMB-UHFFFAOYSA-N
XLogP0.47
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide (CID 66308173) is 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)Cn1c(C)ncc(Br)c1=O.
What is the InChIKey of 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide?
The InChIKey is FFRIULQBQVSHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O3/c1-8-14-6-9(12)11(17)15(8)7-10(16)13-4-3-5-18-2/h6H,3-5,7H2,1-2H3,(H,13,16).
What are the key properties of 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide?
2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide has a molecular weight of 318.17 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 66308173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).