N-[(4-tert-butylphenyl)methyl]-N-methyl-5,6-diphenylpyrazin-2-amine

C28H29N3 — CID 162718221

IUPACN-[(4-tert-butylphenyl)methyl]-N-methyl-5,6-diphenylpyrazin-2-amine
SMILESCN(Cc1ccc(C(C)(C)C)cc1)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C28H29N3/c1-28(2,3)24-17-15-21(16-18-24)20-31(4)25-19-29-26(22-11-7-5-8-12-22)27(30-25)23-13-9-6-10-14-23/h5-19H,20H2,1-4H3
InChIKeyWCODEBCSECJHFG-UHFFFAOYSA-N
MW407.56 g/mol
LogP6.74
Rot. Bonds5

About N-[(4-tert-butylphenyl)methyl]-N-methyl-5,6-diphenylpyrazin-2-amine

N-[(4-tert-butylphenyl)methyl]-N-methyl-5,6-diphenylpyrazin-2-amine (PubChem CID 162718221) has the molecular formula C28H29N3 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-N-methyl-5,6-diphenylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-N-methyl-5,6-diphenylpyrazin-2-amine
PubChem CID162718221
Molecular FormulaC28H29N3
Molecular Weight407.56 g/mol
Exact Mass407.24
IUPAC NameN-[(4-tert-butylphenyl)methyl]-N-methyl-5,6-diphenylpyrazin-2-amine
SMILESCN(Cc1ccc(C(C)(C)C)cc1)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C28H29N3/c1-28(2,3)24-17-15-21(16-18-24)20-31(4)25-19-29-26(22-11-7-5-8-12-22)27(30-25)23-13-9-6-10-14-23/h5-19H,20H2,1-4H3
InChIKeyWCODEBCSECJHFG-UHFFFAOYSA-N
XLogP6.74
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.56
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-N-methyl-5,6-diphenylpyrazin-2-amine?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-N-methyl-5,6-diphenylpyrazin-2-amine (CID 162718221) is N-[(4-tert-butylphenyl)methyl]-N-methyl-5,6-diphenylpyrazin-2-amine.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-N-methyl-5,6-diphenylpyrazin-2-amine?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-N-methyl-5,6-diphenylpyrazin-2-amine is CN(Cc1ccc(C(C)(C)C)cc1)c1cnc(-c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-N-methyl-5,6-diphenylpyrazin-2-amine?
The InChIKey is WCODEBCSECJHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3/c1-28(2,3)24-17-15-21(16-18-24)20-31(4)25-19-29-26(22-11-7-5-8-12-22)27(30-25)23-13-9-6-10-14-23/h5-19H,20H2,1-4H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-N-methyl-5,6-diphenylpyrazin-2-amine?
N-[(4-tert-butylphenyl)methyl]-N-methyl-5,6-diphenylpyrazin-2-amine has a molecular weight of 407.56 g/mol, XLogP of 6.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-N-methyl-5,6-diphenylpyrazin-2-amine is sourced from PubChem (CID 162718221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).