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

C13H25IN2O2Si — CID 85234370

IUPAC(3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)methyl-(iodomethyl)-dimethylsilane
SMILESCOC1=NC(C(C)C)C(OC)=NC1C[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
InChIKeySKQNZALGWSLDQH-UHFFFAOYSA-N
MW396.35 g/mol
LogP3.17
Rot. Bonds4

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

(3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)methyl-(iodomethyl)-dimethylsilane (PubChem CID 85234370) has the molecular formula C13H25IN2O2Si and a molecular weight of 396.35 g/mol. Its IUPAC name is (3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)methyl-(iodomethyl)-dimethylsilane.

Molecular Properties

Compound Name(3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)methyl-(iodomethyl)-dimethylsilane
PubChem CID85234370
Molecular FormulaC13H25IN2O2Si
Molecular Weight396.35 g/mol
Exact Mass396.07
IUPAC Name(3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)methyl-(iodomethyl)-dimethylsilane
SMILESCOC1=NC(C(C)C)C(OC)=NC1C[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
InChIKeySKQNZALGWSLDQH-UHFFFAOYSA-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 (3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)methyl-(iodomethyl)-dimethylsilane?
The IUPAC name of (3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)methyl-(iodomethyl)-dimethylsilane (CID 85234370) is (3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)methyl-(iodomethyl)-dimethylsilane.
What is the SMILES notation for (3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)methyl-(iodomethyl)-dimethylsilane?
The canonical SMILES for (3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)methyl-(iodomethyl)-dimethylsilane is COC1=NC(C(C)C)C(OC)=NC1C[Si](C)(C)CI.
What is the InChIKey of (3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)methyl-(iodomethyl)-dimethylsilane?
The InChIKey is SKQNZALGWSLDQH-UHFFFAOYSA-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.
What are the key properties of (3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)methyl-(iodomethyl)-dimethylsilane?
(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 (3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)methyl-(iodomethyl)-dimethylsilane is sourced from PubChem (CID 85234370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).