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

C16H27BrN2O2Si — CID 140746327

IUPAC3-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclobutan-1-ol
SMILESCCC1(O)CC(O[Si](C)(C)C(C)(C)C)(c2ncc(Br)cn2)C1
InChIInChI=1S/C16H27BrN2O2Si/c1-7-15(20)10-16(11-15,13-18-8-12(17)9-19-13)21-22(5,6)14(2,3)4/h8-9,20H,7,10-11H2,1-6H3
InChIKeyCILSBURSBRWPLE-UHFFFAOYSA-N
MW387.39 g/mol
LogP4.39
Rot. Bonds4

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

3-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclobutan-1-ol (PubChem CID 140746327) has the molecular formula C16H27BrN2O2Si and a molecular weight of 387.39 g/mol. Its IUPAC name is 3-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclobutan-1-ol
PubChem CID140746327
Molecular FormulaC16H27BrN2O2Si
Molecular Weight387.39 g/mol
Exact Mass386.10
IUPAC Name3-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclobutan-1-ol
SMILESCCC1(O)CC(O[Si](C)(C)C(C)(C)C)(c2ncc(Br)cn2)C1
InChIInChI=1S/C16H27BrN2O2Si/c1-7-15(20)10-16(11-15,13-18-8-12(17)9-19-13)21-22(5,6)14(2,3)4/h8-9,20H,7,10-11H2,1-6H3
InChIKeyCILSBURSBRWPLE-UHFFFAOYSA-N
XLogP4.39
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]oxy-tert-butyl-dimethylsilane
CID 140746347
[1-(5-bromo-3-chloro-2-pyridinyl)cyclopropyl]oxy-tert-butyl-dimethylsilane
CID 156803230
1-[2-(5-bromopyrimidin-2-yl)-2-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoroethyl]cyclobutan-1-ol
CID 178039176
5-(5-bromopyrimidin-2-yl)spiro[2.3]hexan-5-ol;ethane
CID 178039114
tert-butyl-[(1S,2S)-1-ethyl-2-methylcyclopropyl]oxy-dimethylsilane
CID 101080937
1-(5-bromo-3-methyl-2-pyridinyl)-3-propylazetidin-3-ol
CID 79718642
2-bromo-1-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-4-pyridinyl]ethanone
CID 168866421
1-(5-bromopyrimidin-2-yl)cyclohexan-1-ol;ethyl formate
CID 174824588
(3R)-3-(5-bromopyrimidin-2-yl)-3-hydroxybutanenitrile
CID 176711312
2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane
CID 178175998
5-bromo-2-(2-ethoxypropan-2-yl)pyrimidine
CID 155756934
1-(5-bromopyrimidin-2-yl)cyclobutane-1,3-diol
CID 118138246

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclobutan-1-ol?
The IUPAC name of 3-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclobutan-1-ol (CID 140746327) is 3-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclobutan-1-ol.
What is the SMILES notation for 3-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclobutan-1-ol?
The canonical SMILES for 3-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclobutan-1-ol is CCC1(O)CC(O[Si](C)(C)C(C)(C)C)(c2ncc(Br)cn2)C1.
What is the InChIKey of 3-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclobutan-1-ol?
The InChIKey is CILSBURSBRWPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2O2Si/c1-7-15(20)10-16(11-15,13-18-8-12(17)9-19-13)21-22(5,6)14(2,3)4/h8-9,20H,7,10-11H2,1-6H3.
What are the key properties of 3-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclobutan-1-ol?
3-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclobutan-1-ol has a molecular weight of 387.39 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclobutan-1-ol is sourced from PubChem (CID 140746327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).