6-bromo-1,5-dimethyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione

C12H21BrN2O3Si — CID 123772393

IUPAC6-bromo-1,5-dimethyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione
SMILESCc1c(Br)n(C)c(=O)n(COCC[Si](C)(C)C)c1=O
InChIInChI=1S/C12H21BrN2O3Si/c1-9-10(13)14(2)12(17)15(11(9)16)8-18-6-7-19(3,4)5/h6-8H2,1-5H3
InChIKeyYAMWBZJVKQUGRK-UHFFFAOYSA-N
MW349.30 g/mol
LogP1.93
Rot. Bonds5

About 6-bromo-1,5-dimethyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione

6-bromo-1,5-dimethyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione (PubChem CID 123772393) has the molecular formula C12H21BrN2O3Si and a molecular weight of 349.30 g/mol. Its IUPAC name is 6-bromo-1,5-dimethyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-bromo-1,5-dimethyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione
PubChem CID123772393
Molecular FormulaC12H21BrN2O3Si
Molecular Weight349.30 g/mol
Exact Mass348.05
IUPAC Name6-bromo-1,5-dimethyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione
SMILESCc1c(Br)n(C)c(=O)n(COCC[Si](C)(C)C)c1=O
InChIInChI=1S/C12H21BrN2O3Si/c1-9-10(13)14(2)12(17)15(11(9)16)8-18-6-7-19(3,4)5/h6-8H2,1-5H3
InChIKeyYAMWBZJVKQUGRK-UHFFFAOYSA-N
XLogP1.93
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.30
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-bromo-1-butyl-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione
CID 90440986
4-bromo-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
CID 166524443
2-[(5-bromo-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 125480758
methyl 5-bromo-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 153484145
8-chloro-1-methyl-7-prop-2-enyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione
CID 59299565
2-[(4,5-dibromo-2-methoxyimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156708294
2-[[2,5-dibromo-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 123200798
ethyl 4-bromo-2,6-dimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxylate
CID 140834477
8-bromo-3-methyl-1-[3-(oxan-2-yloxy)propyl]-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione
CID 90402652
4-bromo-N,2,6-trimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxamide
CID 140834480
4-(bromomethyl)-1-ethyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-2-one
CID 68503428
4-bromo-5-(1-cyano-2-methylpropan-2-yl)-2,6-dimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxylic acid
CID 151475971

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,5-dimethyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-bromo-1,5-dimethyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione (CID 123772393) is 6-bromo-1,5-dimethyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-bromo-1,5-dimethyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-bromo-1,5-dimethyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione is Cc1c(Br)n(C)c(=O)n(COCC[Si](C)(C)C)c1=O.
What is the InChIKey of 6-bromo-1,5-dimethyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is YAMWBZJVKQUGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN2O3Si/c1-9-10(13)14(2)12(17)15(11(9)16)8-18-6-7-19(3,4)5/h6-8H2,1-5H3.
What are the key properties of 6-bromo-1,5-dimethyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione?
6-bromo-1,5-dimethyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 349.30 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,5-dimethyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 123772393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).