tert-butyl-[1-(5,6-dichloro-2-methylpyrimidin-4-yl)azetidin-3-yl]oxy-dimethylsilane

C14H23Cl2N3OSi — CID 166128654

IUPACtert-butyl-[1-(5,6-dichloro-2-methylpyrimidin-4-yl)azetidin-3-yl]oxy-dimethylsilane
SMILESCc1nc(Cl)c(Cl)c(N2CC(O[Si](C)(C)C(C)(C)C)C2)n1
InChIInChI=1S/C14H23Cl2N3OSi/c1-9-17-12(16)11(15)13(18-9)19-7-10(8-19)20-21(5,6)14(2,3)4/h10H,7-8H2,1-6H3
InChIKeyLTKYGQZUHREATP-UHFFFAOYSA-N
MW348.35 g/mol
LogP4.30
Rot. Bonds3

About tert-butyl-[1-(5,6-dichloro-2-methylpyrimidin-4-yl)azetidin-3-yl]oxy-dimethylsilane

tert-butyl-[1-(5,6-dichloro-2-methylpyrimidin-4-yl)azetidin-3-yl]oxy-dimethylsilane (PubChem CID 166128654) has the molecular formula C14H23Cl2N3OSi and a molecular weight of 348.35 g/mol. Its IUPAC name is tert-butyl-[1-(5,6-dichloro-2-methylpyrimidin-4-yl)azetidin-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-(5,6-dichloro-2-methylpyrimidin-4-yl)azetidin-3-yl]oxy-dimethylsilane
PubChem CID166128654
Molecular FormulaC14H23Cl2N3OSi
Molecular Weight348.35 g/mol
Exact Mass347.10
IUPAC Nametert-butyl-[1-(5,6-dichloro-2-methylpyrimidin-4-yl)azetidin-3-yl]oxy-dimethylsilane
SMILESCc1nc(Cl)c(Cl)c(N2CC(O[Si](C)(C)C(C)(C)C)C2)n1
InChIInChI=1S/C14H23Cl2N3OSi/c1-9-17-12(16)11(15)13(18-9)19-7-10(8-19)20-21(5,6)14(2,3)4/h10H,7-8H2,1-6H3
InChIKeyLTKYGQZUHREATP-UHFFFAOYSA-N
XLogP4.30
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 54.30
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 tert-butyl-[1-(5,6-dichloro-2-methylpyrimidin-4-yl)azetidin-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[1-(5,6-dichloro-2-methylpyrimidin-4-yl)azetidin-3-yl]oxy-dimethylsilane (CID 166128654) is tert-butyl-[1-(5,6-dichloro-2-methylpyrimidin-4-yl)azetidin-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-(5,6-dichloro-2-methylpyrimidin-4-yl)azetidin-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[1-(5,6-dichloro-2-methylpyrimidin-4-yl)azetidin-3-yl]oxy-dimethylsilane is Cc1nc(Cl)c(Cl)c(N2CC(O[Si](C)(C)C(C)(C)C)C2)n1.
What is the InChIKey of tert-butyl-[1-(5,6-dichloro-2-methylpyrimidin-4-yl)azetidin-3-yl]oxy-dimethylsilane?
The InChIKey is LTKYGQZUHREATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23Cl2N3OSi/c1-9-17-12(16)11(15)13(18-9)19-7-10(8-19)20-21(5,6)14(2,3)4/h10H,7-8H2,1-6H3.
What are the key properties of tert-butyl-[1-(5,6-dichloro-2-methylpyrimidin-4-yl)azetidin-3-yl]oxy-dimethylsilane?
tert-butyl-[1-(5,6-dichloro-2-methylpyrimidin-4-yl)azetidin-3-yl]oxy-dimethylsilane has a molecular weight of 348.35 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(5,6-dichloro-2-methylpyrimidin-4-yl)azetidin-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 166128654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).