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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).