methyl 3-amino-6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazine-2-carboxylate

C19H27N3O3Si — CID 58710604

IUPACmethyl 3-amino-6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cccc(CO[Si](C)(C)C(C)(C)C)c2)cnc1N
InChIInChI=1S/C19H27N3O3Si/c1-19(2,3)26(5,6)25-12-13-8-7-9-14(10-13)15-11-21-17(20)16(22-15)18(23)24-4/h7-11H,12H2,1-6H3,(H2,20,21)
InChIKeyMGYBQZMZRXOEJA-UHFFFAOYSA-N
MW373.53 g/mol
LogP4.03
Rot. Bonds5

About methyl 3-amino-6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazine-2-carboxylate

methyl 3-amino-6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazine-2-carboxylate (PubChem CID 58710604) has the molecular formula C19H27N3O3Si and a molecular weight of 373.53 g/mol. Its IUPAC name is methyl 3-amino-6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazine-2-carboxylate
PubChem CID58710604
Molecular FormulaC19H27N3O3Si
Molecular Weight373.53 g/mol
Exact Mass373.18
IUPAC Namemethyl 3-amino-6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cccc(CO[Si](C)(C)C(C)(C)C)c2)cnc1N
InChIInChI=1S/C19H27N3O3Si/c1-19(2,3)26(5,6)25-12-13-8-7-9-14(10-13)15-11-21-17(20)16(22-15)18(23)24-4/h7-11H,12H2,1-6H3,(H2,20,21)
InChIKeyMGYBQZMZRXOEJA-UHFFFAOYSA-N
XLogP4.03
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Benzyl 3-amino-6-methylpyrazine-2-carboxylate
CID 317740
Methyl 3-amino-6-phenylpyrazine-2-carboxylate
CID 12841581
Methyl 3-amino-6-(3-(hydroxymethyl)phenyl)pyrazine-2-carboxylate
CID 58710605
3-Amino-6-(4-fluorophenyl)-pyrazine-2-carboxylic acid methyl ester
CID 57428014
5-Amino-6-(4-fluoro-phenyl)-pyrazine-2-carboxylic acid methyl ester
CID 67504641
Methyl 3-amino-6-(2,6-difluorophenyl)pyrazine-2-carboxylate
CID 86726788
Ethyl 5-amino-6-(4-(tert-butoxycarbonyl)-3-fluorophenyl)pyrazine-2-carboxylate
CID 118045523
Ethyl 3-amino-6-[5-(1,1-difluoro-2,3-dihydroxypropan-2-yl)-2-methylphenyl]pyrazine-2-carboxylate
CID 139465750
Ethyl 3-amino-6-[2-(trideuteriomethyl)-5-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)phenyl]pyrazine-2-carboxylate
CID 139465757
[2-Fluoro-3-(5-morpholin-4-ylpyrazin-2-yl)phenyl]methyl 3-amino-3-iminopropanoate
CID 147026492
Ethyl 5-amino-3-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyrazine-2-carboxylate
CID 172857387
CID 173824160
CID 173824160

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazine-2-carboxylate (CID 58710604) is methyl 3-amino-6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazine-2-carboxylate is COC(=O)c1nc(-c2cccc(CO[Si](C)(C)C(C)(C)C)c2)cnc1N.
What is the InChIKey of methyl 3-amino-6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazine-2-carboxylate?
The InChIKey is MGYBQZMZRXOEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3Si/c1-19(2,3)26(5,6)25-12-13-8-7-9-14(10-13)15-11-21-17(20)16(22-15)18(23)24-4/h7-11H,12H2,1-6H3,(H2,20,21).
What are the key properties of methyl 3-amino-6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazine-2-carboxylate?
methyl 3-amino-6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazine-2-carboxylate has a molecular weight of 373.53 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazine-2-carboxylate is sourced from PubChem (CID 58710604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).