4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-5-(trifluoromethyl)pyrimidin-2-amine

C14H23F3N4OSi — CID 169118691

IUPAC4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)(C)[Si](C)(C)OC1CN(c2nc(N)ncc2C(F)(F)F)C1
InChIInChI=1S/C14H23F3N4OSi/c1-13(2,3)23(4,5)22-9-7-21(8-9)11-10(14(15,16)17)6-19-12(18)20-11/h6,9H,7-8H2,1-5H3,(H2,18,19,20)
InChIKeyYJFQNVKPLCVMQW-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.29
Rot. Bonds3

About 4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-5-(trifluoromethyl)pyrimidin-2-amine

4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 169118691) has the molecular formula C14H23F3N4OSi and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID169118691
Molecular FormulaC14H23F3N4OSi
Molecular Weight348.45 g/mol
Exact Mass348.16
IUPAC Name4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)(C)[Si](C)(C)OC1CN(c2nc(N)ncc2C(F)(F)F)C1
InChIInChI=1S/C14H23F3N4OSi/c1-13(2,3)23(4,5)22-9-7-21(8-9)11-10(14(15,16)17)6-19-12(18)20-11/h6,9H,7-8H2,1-5H3,(H2,18,19,20)
InChIKeyYJFQNVKPLCVMQW-UHFFFAOYSA-N
XLogP3.29
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 169118691) is 4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-5-(trifluoromethyl)pyrimidin-2-amine is CC(C)(C)[Si](C)(C)OC1CN(c2nc(N)ncc2C(F)(F)F)C1.
What is the InChIKey of 4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is YJFQNVKPLCVMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4OSi/c1-13(2,3)23(4,5)22-9-7-21(8-9)11-10(14(15,16)17)6-19-12(18)20-11/h6,9H,7-8H2,1-5H3,(H2,18,19,20).
What are the key properties of 4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 348.45 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 169118691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).