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

C13H25ClN2O2Si — CID 58427120

IUPACchloromethyl-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane
SMILESCOC1=N[C@H](C(C)C)C(OC)=N[C@@H]1C[Si](C)(C)CCl
InChIInChI=1S/C13H25ClN2O2Si/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-/m1/s1
InChIKeyWMBAMEGAFIAPGH-GHMZBOCLSA-N
MW304.89 g/mol
LogP2.97
Rot. Bonds4

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

chloromethyl-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane (PubChem CID 58427120) has the molecular formula C13H25ClN2O2Si and a molecular weight of 304.89 g/mol. Its IUPAC name is chloromethyl-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane.

Molecular Properties

Compound Namechloromethyl-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane
PubChem CID58427120
Molecular FormulaC13H25ClN2O2Si
Molecular Weight304.89 g/mol
Exact Mass304.14
IUPAC Namechloromethyl-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane
SMILESCOC1=N[C@H](C(C)C)C(OC)=N[C@@H]1C[Si](C)(C)CCl
InChIInChI=1S/C13H25ClN2O2Si/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-/m1/s1
InChIKeyWMBAMEGAFIAPGH-GHMZBOCLSA-N
XLogP2.97
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.89
LogP ≤ 52.97
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'}

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Frequently Asked Questions

What is the IUPAC name of chloromethyl-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane?
The IUPAC name of chloromethyl-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane (CID 58427120) is chloromethyl-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane.
What is the SMILES notation for chloromethyl-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane?
The canonical SMILES for chloromethyl-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane is COC1=N[C@H](C(C)C)C(OC)=N[C@@H]1C[Si](C)(C)CCl.
What is the InChIKey of chloromethyl-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane?
The InChIKey is WMBAMEGAFIAPGH-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H25ClN2O2Si/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-/m1/s1.
What are the key properties of chloromethyl-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane?
chloromethyl-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane has a molecular weight of 304.89 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-dimethylsilane is sourced from PubChem (CID 58427120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).