tert-butyl-[(1R,2R)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylpropoxy]-dimethylsilane

C17H25FN4OSSi — CID 140771312

IUPACtert-butyl-[(1R,2R)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylpropoxy]-dimethylsilane
SMILESC[C@@H](Sc1ncccn1)[C@H](O[Si](C)(C)C(C)(C)C)c1ncc(F)cn1
InChIInChI=1S/C17H25FN4OSSi/c1-12(24-16-19-8-7-9-20-16)14(15-21-10-13(18)11-22-15)23-25(5,6)17(2,3)4/h7-12,14H,1-6H3/t12-,14+/m1/s1
InChIKeyQDVRGANQFVJQNE-OCCSQVGLSA-N
MW380.57 g/mol
LogP4.65
Rot. Bonds6

About tert-butyl-[(1R,2R)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylpropoxy]-dimethylsilane

tert-butyl-[(1R,2R)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylpropoxy]-dimethylsilane (PubChem CID 140771312) has the molecular formula C17H25FN4OSSi and a molecular weight of 380.57 g/mol. Its IUPAC name is tert-butyl-[(1R,2R)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylpropoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2R)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylpropoxy]-dimethylsilane
PubChem CID140771312
Molecular FormulaC17H25FN4OSSi
Molecular Weight380.57 g/mol
Exact Mass380.15
IUPAC Nametert-butyl-[(1R,2R)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylpropoxy]-dimethylsilane
SMILESC[C@@H](Sc1ncccn1)[C@H](O[Si](C)(C)C(C)(C)C)c1ncc(F)cn1
InChIInChI=1S/C17H25FN4OSSi/c1-12(24-16-19-8-7-9-20-16)14(15-21-10-13(18)11-22-15)23-25(5,6)17(2,3)4/h7-12,14H,1-6H3/t12-,14+/m1/s1
InChIKeyQDVRGANQFVJQNE-OCCSQVGLSA-N
XLogP4.65
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.57
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[(1R,2R)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylpropoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2R)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylpropoxy]-dimethylsilane (CID 140771312) is tert-butyl-[(1R,2R)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylpropoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2R)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylpropoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2R)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylpropoxy]-dimethylsilane is C[C@@H](Sc1ncccn1)[C@H](O[Si](C)(C)C(C)(C)C)c1ncc(F)cn1.
What is the InChIKey of tert-butyl-[(1R,2R)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylpropoxy]-dimethylsilane?
The InChIKey is QDVRGANQFVJQNE-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H25FN4OSSi/c1-12(24-16-19-8-7-9-20-16)14(15-21-10-13(18)11-22-15)23-25(5,6)17(2,3)4/h7-12,14H,1-6H3/t12-,14+/m1/s1.
What are the key properties of tert-butyl-[(1R,2R)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylpropoxy]-dimethylsilane?
tert-butyl-[(1R,2R)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylpropoxy]-dimethylsilane has a molecular weight of 380.57 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2R)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylpropoxy]-dimethylsilane is sourced from PubChem (CID 140771312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).