5-bromo-3-butan-2-yl-6-methyl-2-trimethylsilyloxypyrimidin-4-one

C12H21BrN2O2Si — CID 91739654

IUPAC5-bromo-3-butan-2-yl-6-methyl-2-trimethylsilyloxypyrimidin-4-one
SMILESCCC(C)n1c(O[Si](C)(C)C)nc(C)c(Br)c1=O
InChIInChI=1S/C12H21BrN2O2Si/c1-7-8(2)15-11(16)10(13)9(3)14-12(15)17-18(4,5)6/h8H,7H2,1-6H3
InChIKeyBGIZQFCUJVPGGW-UHFFFAOYSA-N
MW333.30 g/mol
LogP3.50
Rot. Bonds4

About 5-bromo-3-butan-2-yl-6-methyl-2-trimethylsilyloxypyrimidin-4-one

5-bromo-3-butan-2-yl-6-methyl-2-trimethylsilyloxypyrimidin-4-one (PubChem CID 91739654) has the molecular formula C12H21BrN2O2Si and a molecular weight of 333.30 g/mol. Its IUPAC name is 5-bromo-3-butan-2-yl-6-methyl-2-trimethylsilyloxypyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-butan-2-yl-6-methyl-2-trimethylsilyloxypyrimidin-4-one
PubChem CID91739654
Molecular FormulaC12H21BrN2O2Si
Molecular Weight333.30 g/mol
Exact Mass332.06
IUPAC Name5-bromo-3-butan-2-yl-6-methyl-2-trimethylsilyloxypyrimidin-4-one
SMILESCCC(C)n1c(O[Si](C)(C)C)nc(C)c(Br)c1=O
InChIInChI=1S/C12H21BrN2O2Si/c1-7-8(2)15-11(16)10(13)9(3)14-12(15)17-18(4,5)6/h8H,7H2,1-6H3
InChIKeyBGIZQFCUJVPGGW-UHFFFAOYSA-N
XLogP3.50
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-butan-2-yl-6-methyl-2-trimethylsilyloxypyrimidin-4-one?
The IUPAC name of 5-bromo-3-butan-2-yl-6-methyl-2-trimethylsilyloxypyrimidin-4-one (CID 91739654) is 5-bromo-3-butan-2-yl-6-methyl-2-trimethylsilyloxypyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-butan-2-yl-6-methyl-2-trimethylsilyloxypyrimidin-4-one?
The canonical SMILES for 5-bromo-3-butan-2-yl-6-methyl-2-trimethylsilyloxypyrimidin-4-one is CCC(C)n1c(O[Si](C)(C)C)nc(C)c(Br)c1=O.
What is the InChIKey of 5-bromo-3-butan-2-yl-6-methyl-2-trimethylsilyloxypyrimidin-4-one?
The InChIKey is BGIZQFCUJVPGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN2O2Si/c1-7-8(2)15-11(16)10(13)9(3)14-12(15)17-18(4,5)6/h8H,7H2,1-6H3.
What are the key properties of 5-bromo-3-butan-2-yl-6-methyl-2-trimethylsilyloxypyrimidin-4-one?
5-bromo-3-butan-2-yl-6-methyl-2-trimethylsilyloxypyrimidin-4-one has a molecular weight of 333.30 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-butan-2-yl-6-methyl-2-trimethylsilyloxypyrimidin-4-one is sourced from PubChem (CID 91739654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).