[1-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]oxy-tert-butyl-dimethylsilane

C20H37BrN2O2Si2 — CID 140746347

IUPAC[1-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CC(O[Si](C)(C)C(C)(C)C)(c2ncc(Br)cn2)C1
InChIInChI=1S/C20H37BrN2O2Si2/c1-18(2,3)26(7,8)24-16-11-20(12-16,17-22-13-15(21)14-23-17)25-27(9,10)19(4,5)6/h13-14,16H,11-12H2,1-10H3
InChIKeyRLTOGXQYGPUQEO-UHFFFAOYSA-N
MW473.60 g/mol
LogP6.64
Rot. Bonds5

About [1-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]oxy-tert-butyl-dimethylsilane

[1-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]oxy-tert-butyl-dimethylsilane (PubChem CID 140746347) has the molecular formula C20H37BrN2O2Si2 and a molecular weight of 473.60 g/mol. Its IUPAC name is [1-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[1-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]oxy-tert-butyl-dimethylsilane
PubChem CID140746347
Molecular FormulaC20H37BrN2O2Si2
Molecular Weight473.60 g/mol
Exact Mass472.16
IUPAC Name[1-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CC(O[Si](C)(C)C(C)(C)C)(c2ncc(Br)cn2)C1
InChIInChI=1S/C20H37BrN2O2Si2/c1-18(2,3)26(7,8)24-16-11-20(12-16,17-22-13-15(21)14-23-17)25-27(9,10)19(4,5)6/h13-14,16H,11-12H2,1-10H3
InChIKeyRLTOGXQYGPUQEO-UHFFFAOYSA-N
XLogP6.64
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.60
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclobutan-1-ol
CID 140746327
[1-(5-bromo-3-chloro-2-pyridinyl)cyclopropyl]oxy-tert-butyl-dimethylsilane
CID 156803230
[3-(4-bromophenoxy)cyclobutyl]oxy-tert-butyl-dimethylsilane
CID 168964353
[(1S)-3-bromocyclopent-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 10880391
[1-(4-bromophenyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 67148861
[(3S)-1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 86686011
[(1S)-2-bromo-4,4-dimethylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 99772598
(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxy-tert-butyl-dimethylsilane
CID 23377895
tert-butyl-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)oxy]-dimethylsilane
CID 139809790
tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane
CID 142783605
(4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 10708674
tert-butyl-cyclohept-4-en-1-yloxy-dimethylsilane
CID 11085508

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [1-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]oxy-tert-butyl-dimethylsilane (CID 140746347) is [1-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [1-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [1-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CC(O[Si](C)(C)C(C)(C)C)(c2ncc(Br)cn2)C1.
What is the InChIKey of [1-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]oxy-tert-butyl-dimethylsilane?
The InChIKey is RLTOGXQYGPUQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37BrN2O2Si2/c1-18(2,3)26(7,8)24-16-11-20(12-16,17-22-13-15(21)14-23-17)25-27(9,10)19(4,5)6/h13-14,16H,11-12H2,1-10H3.
What are the key properties of [1-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]oxy-tert-butyl-dimethylsilane?
[1-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 473.60 g/mol, XLogP of 6.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 140746347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).