5-(2-bromo-1-methoxyethyl)-1H-pyrimidine-2,4-dione

C7H9BrN2O3 — CID 19802312

IUPAC5-(2-bromo-1-methoxyethyl)-1H-pyrimidine-2,4-dione
SMILESCOC(CBr)C1=CNC(=O)NC1=O
InChIInChI=1S/C7H9BrN2O3/c1-13-5(2-8)4-3-9-7(12)10-6(4)11/h3,5H,2H2,1H3,(H2,9,10,11,12)
InChIKeyYCBFIWSTJILEQQ-UHFFFAOYSA-N
MW249.06 g/mol
LogP-0.50
Rot. Bonds3

About 5-(2-bromo-1-methoxyethyl)-1H-pyrimidine-2,4-dione

5-(2-bromo-1-methoxyethyl)-1H-pyrimidine-2,4-dione (PubChem CID 19802312) has the molecular formula C7H9BrN2O3 and a molecular weight of 249.06 g/mol. Its IUPAC name is 5-(2-bromo-1-methoxyethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-bromo-1-methoxyethyl)-1H-pyrimidine-2,4-dione
PubChem CID19802312
Molecular FormulaC7H9BrN2O3
Molecular Weight249.06 g/mol
Exact Mass247.98
IUPAC Name5-(2-bromo-1-methoxyethyl)-1H-pyrimidine-2,4-dione
SMILESCOC(CBr)C1=CNC(=O)NC1=O
InChIInChI=1S/C7H9BrN2O3/c1-13-5(2-8)4-3-9-7(12)10-6(4)11/h3,5H,2H2,1H3,(H2,9,10,11,12)
InChIKeyYCBFIWSTJILEQQ-UHFFFAOYSA-N
XLogP-0.50
TPSA67.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity264

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.06
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1-ethoxy-2-iodoethyl)-1H-pyrimidine-2,4-dione
CID 14842387
5-(2-iodo-1-methoxyethyl)-1H-pyrimidine-2,4-dione
CID 46915074
5-[1-(2-bromoethoxy)-2-iodoethyl]-1H-pyrimidine-2,4-dione
CID 46915075
5-Isopropoxymethyluracil
CID 1223689
5-(1-ethoxyethyl)-1H-pyrimidine-2,4-dione
CID 20188123
5-(1-Methoxyethyl)pyrimidine-2,4(1H,3H)-dione
CID 71383229
5-(3-bromobut-3-enoxymethyl)-1H-pyrimidine-2,4-dione
CID 88115696
5-(1-propan-2-yloxyethyl)-1H-pyrimidine-2,4-dione
CID 144863604
5-(4-bromobut-3-enoxymethyl)-1H-pyrimidine-2,4-dione
CID 173248084

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-1-methoxyethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(2-bromo-1-methoxyethyl)-1H-pyrimidine-2,4-dione (CID 19802312) is 5-(2-bromo-1-methoxyethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-bromo-1-methoxyethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(2-bromo-1-methoxyethyl)-1H-pyrimidine-2,4-dione is COC(CBr)C1=CNC(=O)NC1=O.
What is the InChIKey of 5-(2-bromo-1-methoxyethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is YCBFIWSTJILEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O3/c1-13-5(2-8)4-3-9-7(12)10-6(4)11/h3,5H,2H2,1H3,(H2,9,10,11,12).
What are the key properties of 5-(2-bromo-1-methoxyethyl)-1H-pyrimidine-2,4-dione?
5-(2-bromo-1-methoxyethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 249.06 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-1-methoxyethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 19802312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).