5-bromo-3-(2-chloroethoxy)-6-methyl-1H-pyrimidine-2,4-dione

C7H8BrClN2O3 — CID 23273973

IUPAC5-bromo-3-(2-chloroethoxy)-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)n(OCCCl)c(=O)c1Br
InChIInChI=1S/C7H8BrClN2O3/c1-4-5(8)6(12)11(7(13)10-4)14-3-2-9/h2-3H2,1H3,(H,10,13)
InChIKeyZZPZMUYYONNYDP-UHFFFAOYSA-N
MW283.51 g/mol
LogP0.27
Rot. Bonds3

About 5-bromo-3-(2-chloroethoxy)-6-methyl-1H-pyrimidine-2,4-dione

5-bromo-3-(2-chloroethoxy)-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 23273973) has the molecular formula C7H8BrClN2O3 and a molecular weight of 283.51 g/mol. Its IUPAC name is 5-bromo-3-(2-chloroethoxy)-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-3-(2-chloroethoxy)-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID23273973
Molecular FormulaC7H8BrClN2O3
Molecular Weight283.51 g/mol
Exact Mass281.94
IUPAC Name5-bromo-3-(2-chloroethoxy)-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)n(OCCCl)c(=O)c1Br
InChIInChI=1S/C7H8BrClN2O3/c1-4-5(8)6(12)11(7(13)10-4)14-3-2-9/h2-3H2,1H3,(H,10,13)
InChIKeyZZPZMUYYONNYDP-UHFFFAOYSA-N
XLogP0.27
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.51
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Bromo-6-chloromethyluracil
CID 10933591
1-(2-Chloroethoxy)-5-fluoro-6-methylpyrimidine-2,4-dione
CID 150558122
3-Meo-5-BR-6-ME-pyrimidin-2,4-dione
CID 23273612
3-Eto-5-BR-6-ME-pyrimidin-2,4-dione
CID 23273781
3-Pro-5-BR-6-ME-pyrimidin-2,4-dione
CID 23273964
3-Ipro-5-BR-6-ME-pyrimidi-2,4-dione
CID 23273965
3-Buo-5-BR-6-ME-pyrimidin-2,4-dione
CID 23274187
3-Ibuo-5-BR-6-ME-pyrimidin-2,4-dion
CID 23274188
3-Sbuo-5-BR-6-ME-pyrimidin-2,4-dion
CID 23274189

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-chloroethoxy)-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-3-(2-chloroethoxy)-6-methyl-1H-pyrimidine-2,4-dione (CID 23273973) is 5-bromo-3-(2-chloroethoxy)-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-3-(2-chloroethoxy)-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-3-(2-chloroethoxy)-6-methyl-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)n(OCCCl)c(=O)c1Br.
What is the InChIKey of 5-bromo-3-(2-chloroethoxy)-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is ZZPZMUYYONNYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrClN2O3/c1-4-5(8)6(12)11(7(13)10-4)14-3-2-9/h2-3H2,1H3,(H,10,13).
What are the key properties of 5-bromo-3-(2-chloroethoxy)-6-methyl-1H-pyrimidine-2,4-dione?
5-bromo-3-(2-chloroethoxy)-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 283.51 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-chloroethoxy)-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 23273973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).