[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-(iodomethyl)-dimethylsilane

C13H25IN2O2Si — CID 10834547

IUPAC[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-(iodomethyl)-dimethylsilane
SMILESCOC1=N[C@H](C(C)C)C(OC)=N[C@H]1C[Si](C)(C)CI
InChIInChI=1S/C13H25IN2O2Si/c1-9(2)11-13(18-4)15-10(12(16-11)17-3)7-19(5,6)8-14/h9-11H,7-8H2,1-6H3/t10-,11+/m0/s1
InChIKeySKQNZALGWSLDQH-WDEREUQCSA-N
MW396.35 g/mol
LogP3.17
Rot. Bonds4

About [(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-(iodomethyl)-dimethylsilane

[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-(iodomethyl)-dimethylsilane (PubChem CID 10834547) has the molecular formula C13H25IN2O2Si and a molecular weight of 396.35 g/mol. Its IUPAC name is [(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-(iodomethyl)-dimethylsilane.

Molecular Properties

Compound Name[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-(iodomethyl)-dimethylsilane
PubChem CID10834547
Molecular FormulaC13H25IN2O2Si
Molecular Weight396.35 g/mol
Exact Mass396.07
IUPAC Name[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-(iodomethyl)-dimethylsilane
SMILESCOC1=N[C@H](C(C)C)C(OC)=N[C@H]1C[Si](C)(C)CI
InChIInChI=1S/C13H25IN2O2Si/c1-9(2)11-13(18-4)15-10(12(16-11)17-3)7-19(5,6)8-14/h9-11H,7-8H2,1-6H3/t10-,11+/m0/s1
InChIKeySKQNZALGWSLDQH-WDEREUQCSA-N
XLogP3.17
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.35
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-(iodomethyl)-dimethylsilane?
The IUPAC name of [(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-(iodomethyl)-dimethylsilane (CID 10834547) is [(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-(iodomethyl)-dimethylsilane.
What is the SMILES notation for [(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-(iodomethyl)-dimethylsilane?
The canonical SMILES for [(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-(iodomethyl)-dimethylsilane is COC1=N[C@H](C(C)C)C(OC)=N[C@H]1C[Si](C)(C)CI.
What is the InChIKey of [(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-(iodomethyl)-dimethylsilane?
The InChIKey is SKQNZALGWSLDQH-WDEREUQCSA-N. The full InChI is InChI=1S/C13H25IN2O2Si/c1-9(2)11-13(18-4)15-10(12(16-11)17-3)7-19(5,6)8-14/h9-11H,7-8H2,1-6H3/t10-,11+/m0/s1.
What are the key properties of [(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-(iodomethyl)-dimethylsilane?
[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-(iodomethyl)-dimethylsilane has a molecular weight of 396.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-(iodomethyl)-dimethylsilane is sourced from PubChem (CID 10834547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).