2,5-bis(4-tert-butylphenyl)-3,6-dimethylpyrazine

C26H32N2 — CID 143714645

IUPAC2,5-bis(4-tert-butylphenyl)-3,6-dimethylpyrazine
SMILESCc1nc(-c2ccc(C(C)(C)C)cc2)c(C)nc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C26H32N2/c1-17-23(19-9-13-21(14-10-19)25(3,4)5)28-18(2)24(27-17)20-11-15-22(16-12-20)26(6,7)8/h9-16H,1-8H3
InChIKeyZIQDRZFMAZVORG-UHFFFAOYSA-N
MW372.56 g/mol
LogP7.02
Rot. Bonds2

About 2,5-bis(4-tert-butylphenyl)-3,6-dimethylpyrazine

2,5-bis(4-tert-butylphenyl)-3,6-dimethylpyrazine (PubChem CID 143714645) has the molecular formula C26H32N2 and a molecular weight of 372.56 g/mol. Its IUPAC name is 2,5-bis(4-tert-butylphenyl)-3,6-dimethylpyrazine.

Molecular Properties

Compound Name2,5-bis(4-tert-butylphenyl)-3,6-dimethylpyrazine
PubChem CID143714645
Molecular FormulaC26H32N2
Molecular Weight372.56 g/mol
Exact Mass372.26
IUPAC Name2,5-bis(4-tert-butylphenyl)-3,6-dimethylpyrazine
SMILESCc1nc(-c2ccc(C(C)(C)C)cc2)c(C)nc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C26H32N2/c1-17-23(19-9-13-21(14-10-19)25(3,4)5)28-18(2)24(27-17)20-11-15-22(16-12-20)26(6,7)8/h9-16H,1-8H3
InChIKeyZIQDRZFMAZVORG-UHFFFAOYSA-N
XLogP7.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.56
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-4-(4-tert-butylphenyl)-2-methyl-1,3-oxazole
CID 82134975
1-tert-butyl-4-methylbenzene
CID 163486601
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
[4-(4-tert-butylphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 28709653
2-(4-tert-butylphenyl)-3-methylimidazo[1,2-a]pyridine
CID 66561784
2-(4-tert-butylphenyl)-4,6-bis(4-methylphenyl)pyrimidine
CID 58261754
CID 142053160
CID 142053160
2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82427139
4-(4-tert-butylphenyl)-2-(3-methoxypropyl)-5-methyl-1,3-thiazole
CID 60587964
5-(4-tert-butylphenyl)-3,4-dimethyl-1,2-oxazole
CID 71396992
3-(4-tert-butylphenyl)-6-[5-[5-(4-tert-butylphenyl)-6-methyl-2-pyridinyl]thiophen-2-yl]-2-methylpyridine
CID 132567433
[2-bromo-4-(4-tert-butylphenyl)-1,3-thiazol-5-yl]methanol
CID 131867651

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-tert-butylphenyl)-3,6-dimethylpyrazine?
The IUPAC name of 2,5-bis(4-tert-butylphenyl)-3,6-dimethylpyrazine (CID 143714645) is 2,5-bis(4-tert-butylphenyl)-3,6-dimethylpyrazine.
What is the SMILES notation for 2,5-bis(4-tert-butylphenyl)-3,6-dimethylpyrazine?
The canonical SMILES for 2,5-bis(4-tert-butylphenyl)-3,6-dimethylpyrazine is Cc1nc(-c2ccc(C(C)(C)C)cc2)c(C)nc1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2,5-bis(4-tert-butylphenyl)-3,6-dimethylpyrazine?
The InChIKey is ZIQDRZFMAZVORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2/c1-17-23(19-9-13-21(14-10-19)25(3,4)5)28-18(2)24(27-17)20-11-15-22(16-12-20)26(6,7)8/h9-16H,1-8H3.
What are the key properties of 2,5-bis(4-tert-butylphenyl)-3,6-dimethylpyrazine?
2,5-bis(4-tert-butylphenyl)-3,6-dimethylpyrazine has a molecular weight of 372.56 g/mol, XLogP of 7.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-tert-butylphenyl)-3,6-dimethylpyrazine is sourced from PubChem (CID 143714645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).