3-benzyl-5-[4-(2-trimethylsilylethoxy)phenyl]pyrazin-2-amine

C22H27N3OSi — CID 155887577

IUPAC3-benzyl-5-[4-(2-trimethylsilylethoxy)phenyl]pyrazin-2-amine
SMILESC[Si](C)(C)CCOc1ccc(-c2cnc(N)c(Cc3ccccc3)n2)cc1
InChIInChI=1S/C22H27N3OSi/c1-27(2,3)14-13-26-19-11-9-18(10-12-19)21-16-24-22(23)20(25-21)15-17-7-5-4-6-8-17/h4-12,16H,13-15H2,1-3H3,(H2,23,24)
InChIKeyHOBIIVPQEMHLHN-UHFFFAOYSA-N
MW377.56 g/mol
LogP5.03
Rot. Bonds7

About 3-benzyl-5-[4-(2-trimethylsilylethoxy)phenyl]pyrazin-2-amine

3-benzyl-5-[4-(2-trimethylsilylethoxy)phenyl]pyrazin-2-amine (PubChem CID 155887577) has the molecular formula C22H27N3OSi and a molecular weight of 377.56 g/mol. Its IUPAC name is 3-benzyl-5-[4-(2-trimethylsilylethoxy)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-benzyl-5-[4-(2-trimethylsilylethoxy)phenyl]pyrazin-2-amine
PubChem CID155887577
Molecular FormulaC22H27N3OSi
Molecular Weight377.56 g/mol
Exact Mass377.19
IUPAC Name3-benzyl-5-[4-(2-trimethylsilylethoxy)phenyl]pyrazin-2-amine
SMILESC[Si](C)(C)CCOc1ccc(-c2cnc(N)c(Cc3ccccc3)n2)cc1
InChIInChI=1S/C22H27N3OSi/c1-27(2,3)14-13-26-19-11-9-18(10-12-19)21-16-24-22(23)20(25-21)15-17-7-5-4-6-8-17/h4-12,16H,13-15H2,1-3H3,(H2,23,24)
InChIKeyHOBIIVPQEMHLHN-UHFFFAOYSA-N
XLogP5.03
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.56
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-[4-(2-trimethylsilylethoxy)phenyl]pyrazin-2-amine?
The IUPAC name of 3-benzyl-5-[4-(2-trimethylsilylethoxy)phenyl]pyrazin-2-amine (CID 155887577) is 3-benzyl-5-[4-(2-trimethylsilylethoxy)phenyl]pyrazin-2-amine.
What is the SMILES notation for 3-benzyl-5-[4-(2-trimethylsilylethoxy)phenyl]pyrazin-2-amine?
The canonical SMILES for 3-benzyl-5-[4-(2-trimethylsilylethoxy)phenyl]pyrazin-2-amine is C[Si](C)(C)CCOc1ccc(-c2cnc(N)c(Cc3ccccc3)n2)cc1.
What is the InChIKey of 3-benzyl-5-[4-(2-trimethylsilylethoxy)phenyl]pyrazin-2-amine?
The InChIKey is HOBIIVPQEMHLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3OSi/c1-27(2,3)14-13-26-19-11-9-18(10-12-19)21-16-24-22(23)20(25-21)15-17-7-5-4-6-8-17/h4-12,16H,13-15H2,1-3H3,(H2,23,24).
What are the key properties of 3-benzyl-5-[4-(2-trimethylsilylethoxy)phenyl]pyrazin-2-amine?
3-benzyl-5-[4-(2-trimethylsilylethoxy)phenyl]pyrazin-2-amine has a molecular weight of 377.56 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-[4-(2-trimethylsilylethoxy)phenyl]pyrazin-2-amine is sourced from PubChem (CID 155887577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).