tert-butyl-[[2-[(2R)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]morpholin-4-yl]pyrimidin-4-yl]methoxy]-dimethylsilane

C27H51N3O8Si — CID 154608132

IUPACtert-butyl-[[2-[(2R)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]morpholin-4-yl]pyrimidin-4-yl]methoxy]-dimethylsilane
SMILESCOCCOCCOCCOCCOCCOC[C@H]1CN(c2nccc(CO[Si](C)(C)C(C)(C)C)n2)CCO1
InChIInChI=1S/C27H51N3O8Si/c1-27(2,3)39(5,6)38-22-24-7-8-28-26(29-24)30-9-10-37-25(21-30)23-36-20-19-35-18-17-34-16-15-33-14-13-32-12-11-31-4/h7-8,25H,9-23H2,1-6H3/t25-/m1/s1
InChIKeyWXAQJKQVXCGJRV-RUZDIDTESA-N
MW573.80 g/mol
LogP2.93
Rot. Bonds21

About tert-butyl-[[2-[(2R)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]morpholin-4-yl]pyrimidin-4-yl]methoxy]-dimethylsilane

tert-butyl-[[2-[(2R)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]morpholin-4-yl]pyrimidin-4-yl]methoxy]-dimethylsilane (PubChem CID 154608132) has the molecular formula C27H51N3O8Si and a molecular weight of 573.80 g/mol. Its IUPAC name is tert-butyl-[[2-[(2R)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]morpholin-4-yl]pyrimidin-4-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[2-[(2R)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]morpholin-4-yl]pyrimidin-4-yl]methoxy]-dimethylsilane
PubChem CID154608132
Molecular FormulaC27H51N3O8Si
Molecular Weight573.80 g/mol
Exact Mass573.34
IUPAC Nametert-butyl-[[2-[(2R)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]morpholin-4-yl]pyrimidin-4-yl]methoxy]-dimethylsilane
SMILESCOCCOCCOCCOCCOCCOC[C@H]1CN(c2nccc(CO[Si](C)(C)C(C)(C)C)n2)CCO1
InChIInChI=1S/C27H51N3O8Si/c1-27(2,3)39(5,6)38-22-24-7-8-28-26(29-24)30-9-10-37-25(21-30)23-36-20-19-35-18-17-34-16-15-33-14-13-32-12-11-31-4/h7-8,25H,9-23H2,1-6H3/t25-/m1/s1
InChIKeyWXAQJKQVXCGJRV-RUZDIDTESA-N
XLogP2.93
TPSA102.86 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.80
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[[2-[(2S)-2-(2-prop-2-enoxyethoxymethyl)morpholin-4-yl]pyrimidin-4-yl]methoxy]silane
CID 154608321
tert-butyl-dimethyl-[[2-[[(2S)-4-methyl-1,4-oxazepan-2-yl]methoxy]pyrimidin-4-yl]methoxy]silane
CID 154608291
3-[2-[[1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-4-fluoropiperidin-4-yl]methoxy]ethoxy]propane-1,2-diol
CID 151882012
[2-(2-methylmorpholin-4-yl)pyrimidin-4-yl]methanamine
CID 107541477
(3R)-1-[4-(methoxymethyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 176625763
[2-[3-[[(2S)-1,4-dioxan-2-yl]methoxymethyl]azetidin-1-yl]pyrimidin-4-yl]methyl methanesulfonate
CID 138609416
tert-butyl-[[2-[(4S)-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-methylcyclohexen-1-yl]pyrimidin-4-yl]methoxy]-dimethylsilane
CID 150467451
2-(methoxymethyl)-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine
CID 122156203
4-(5-fluoro-4-methoxypyrimidin-2-yl)-2-(2-methoxyethyl)morpholine
CID 131900324
(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(4-methoxypyrimidin-2-yl)morpholine
CID 95273980
2-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 95875869
tert-butyl 6-[2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxylate
CID 122131711

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[2-[(2R)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]morpholin-4-yl]pyrimidin-4-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[2-[(2R)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]morpholin-4-yl]pyrimidin-4-yl]methoxy]-dimethylsilane (CID 154608132) is tert-butyl-[[2-[(2R)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]morpholin-4-yl]pyrimidin-4-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[2-[(2R)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]morpholin-4-yl]pyrimidin-4-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[2-[(2R)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]morpholin-4-yl]pyrimidin-4-yl]methoxy]-dimethylsilane is COCCOCCOCCOCCOCCOC[C@H]1CN(c2nccc(CO[Si](C)(C)C(C)(C)C)n2)CCO1.
What is the InChIKey of tert-butyl-[[2-[(2R)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]morpholin-4-yl]pyrimidin-4-yl]methoxy]-dimethylsilane?
The InChIKey is WXAQJKQVXCGJRV-RUZDIDTESA-N. The full InChI is InChI=1S/C27H51N3O8Si/c1-27(2,3)39(5,6)38-22-24-7-8-28-26(29-24)30-9-10-37-25(21-30)23-36-20-19-35-18-17-34-16-15-33-14-13-32-12-11-31-4/h7-8,25H,9-23H2,1-6H3/t25-/m1/s1.
What are the key properties of tert-butyl-[[2-[(2R)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]morpholin-4-yl]pyrimidin-4-yl]methoxy]-dimethylsilane?
tert-butyl-[[2-[(2R)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]morpholin-4-yl]pyrimidin-4-yl]methoxy]-dimethylsilane has a molecular weight of 573.80 g/mol, XLogP of 2.93, 21 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[2-[(2R)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]morpholin-4-yl]pyrimidin-4-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 154608132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).