3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine

C23H29N3OSi — CID 11486146

IUPAC3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(-c2cnc(N)c(Cc3ccccc3)n2)cc1
InChIInChI=1S/C23H29N3OSi/c1-23(2,3)28(4,5)27-19-13-11-18(12-14-19)21-16-25-22(24)20(26-21)15-17-9-7-6-8-10-17/h6-14,16H,15H2,1-5H3,(H2,24,25)
InChIKeyPBRWROSEWMHKDM-UHFFFAOYSA-N
MW391.59 g/mol
LogP5.70
Rot. Bonds5

About 3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine

3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine (PubChem CID 11486146) has the molecular formula C23H29N3OSi and a molecular weight of 391.59 g/mol. Its IUPAC name is 3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine
PubChem CID11486146
Molecular FormulaC23H29N3OSi
Molecular Weight391.59 g/mol
Exact Mass391.21
IUPAC Name3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(-c2cnc(N)c(Cc3ccccc3)n2)cc1
InChIInChI=1S/C23H29N3OSi/c1-23(2,3)28(4,5)27-19-13-11-18(12-14-19)21-16-25-22(24)20(26-21)15-17-9-7-6-8-10-17/h6-14,16H,15H2,1-5H3,(H2,24,25)
InChIKeyPBRWROSEWMHKDM-UHFFFAOYSA-N
XLogP5.70
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.59
LogP ≤ 55.70
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-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine?
The IUPAC name of 3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine (CID 11486146) is 3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine.
What is the SMILES notation for 3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine?
The canonical SMILES for 3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine is CC(C)(C)[Si](C)(C)Oc1ccc(-c2cnc(N)c(Cc3ccccc3)n2)cc1.
What is the InChIKey of 3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine?
The InChIKey is PBRWROSEWMHKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3OSi/c1-23(2,3)28(4,5)27-19-13-11-18(12-14-19)21-16-25-22(24)20(26-21)15-17-9-7-6-8-10-17/h6-14,16H,15H2,1-5H3,(H2,24,25).
What are the key properties of 3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine?
3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine has a molecular weight of 391.59 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine is sourced from PubChem (CID 11486146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).