tert-butyl-dimethyl-[[2-[(2S)-2-(2-prop-2-enoxyethoxymethyl)morpholin-4-yl]pyrimidin-4-yl]methoxy]silane

C21H37N3O4Si — CID 154608321

IUPACtert-butyl-dimethyl-[[2-[(2S)-2-(2-prop-2-enoxyethoxymethyl)morpholin-4-yl]pyrimidin-4-yl]methoxy]silane
SMILESC=CCOCCOC[C@@H]1CN(c2nccc(CO[Si](C)(C)C(C)(C)C)n2)CCO1
InChIInChI=1S/C21H37N3O4Si/c1-7-11-25-13-14-26-17-19-15-24(10-12-27-19)20-22-9-8-18(23-20)16-28-29(5,6)21(2,3)4/h7-9,19H,1,10-17H2,2-6H3/t19-/m0/s1
InChIKeyQNEHBYOWBBNLHT-IBGZPJMESA-N
MW423.63 g/mol
LogP3.42
Rot. Bonds11

About tert-butyl-dimethyl-[[2-[(2S)-2-(2-prop-2-enoxyethoxymethyl)morpholin-4-yl]pyrimidin-4-yl]methoxy]silane

tert-butyl-dimethyl-[[2-[(2S)-2-(2-prop-2-enoxyethoxymethyl)morpholin-4-yl]pyrimidin-4-yl]methoxy]silane (PubChem CID 154608321) has the molecular formula C21H37N3O4Si and a molecular weight of 423.63 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[2-[(2S)-2-(2-prop-2-enoxyethoxymethyl)morpholin-4-yl]pyrimidin-4-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[2-[(2S)-2-(2-prop-2-enoxyethoxymethyl)morpholin-4-yl]pyrimidin-4-yl]methoxy]silane
PubChem CID154608321
Molecular FormulaC21H37N3O4Si
Molecular Weight423.63 g/mol
Exact Mass423.26
IUPAC Nametert-butyl-dimethyl-[[2-[(2S)-2-(2-prop-2-enoxyethoxymethyl)morpholin-4-yl]pyrimidin-4-yl]methoxy]silane
SMILESC=CCOCCOC[C@@H]1CN(c2nccc(CO[Si](C)(C)C(C)(C)C)n2)CCO1
InChIInChI=1S/C21H37N3O4Si/c1-7-11-25-13-14-26-17-19-15-24(10-12-27-19)20-22-9-8-18(23-20)16-28-29(5,6)21(2,3)4/h7-9,19H,1,10-17H2,2-6H3/t19-/m0/s1
InChIKeyQNEHBYOWBBNLHT-IBGZPJMESA-N
XLogP3.42
TPSA65.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.63
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[2-[(2S)-2-(2-prop-2-enoxyethoxymethyl)morpholin-4-yl]pyrimidin-4-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[2-[(2S)-2-(2-prop-2-enoxyethoxymethyl)morpholin-4-yl]pyrimidin-4-yl]methoxy]silane (CID 154608321) is tert-butyl-dimethyl-[[2-[(2S)-2-(2-prop-2-enoxyethoxymethyl)morpholin-4-yl]pyrimidin-4-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[2-[(2S)-2-(2-prop-2-enoxyethoxymethyl)morpholin-4-yl]pyrimidin-4-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[2-[(2S)-2-(2-prop-2-enoxyethoxymethyl)morpholin-4-yl]pyrimidin-4-yl]methoxy]silane is C=CCOCCOC[C@@H]1CN(c2nccc(CO[Si](C)(C)C(C)(C)C)n2)CCO1.
What is the InChIKey of tert-butyl-dimethyl-[[2-[(2S)-2-(2-prop-2-enoxyethoxymethyl)morpholin-4-yl]pyrimidin-4-yl]methoxy]silane?
The InChIKey is QNEHBYOWBBNLHT-IBGZPJMESA-N. The full InChI is InChI=1S/C21H37N3O4Si/c1-7-11-25-13-14-26-17-19-15-24(10-12-27-19)20-22-9-8-18(23-20)16-28-29(5,6)21(2,3)4/h7-9,19H,1,10-17H2,2-6H3/t19-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[2-[(2S)-2-(2-prop-2-enoxyethoxymethyl)morpholin-4-yl]pyrimidin-4-yl]methoxy]silane?
tert-butyl-dimethyl-[[2-[(2S)-2-(2-prop-2-enoxyethoxymethyl)morpholin-4-yl]pyrimidin-4-yl]methoxy]silane has a molecular weight of 423.63 g/mol, XLogP of 3.42, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[2-[(2S)-2-(2-prop-2-enoxyethoxymethyl)morpholin-4-yl]pyrimidin-4-yl]methoxy]silane is sourced from PubChem (CID 154608321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).