3,3-dimethylbutan-2-yl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate

C15H24N2O3 — CID 145154454

IUPAC3,3-dimethylbutan-2-yl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
SMILESCc1nc(C)c(COC(=O)OC(C)C(C)(C)C)nc1C
InChIInChI=1S/C15H24N2O3/c1-9-10(2)17-13(11(3)16-9)8-19-14(18)20-12(4)15(5,6)7/h12H,8H2,1-7H3
InChIKeyCHIVBZPUUPJIOX-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.49
Rot. Bonds3

About 3,3-dimethylbutan-2-yl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate

3,3-dimethylbutan-2-yl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate (PubChem CID 145154454) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3,3-dimethylbutan-2-yl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate.

Molecular Properties

Compound Name3,3-dimethylbutan-2-yl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
PubChem CID145154454
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3,3-dimethylbutan-2-yl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
SMILESCc1nc(C)c(COC(=O)OC(C)C(C)(C)C)nc1C
InChIInChI=1S/C15H24N2O3/c1-9-10(2)17-13(11(3)16-9)8-19-14(18)20-12(4)15(5,6)7/h12H,8H2,1-7H3
InChIKeyCHIVBZPUUPJIOX-UHFFFAOYSA-N
XLogP3.49
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutan-2-yl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate?
The IUPAC name of 3,3-dimethylbutan-2-yl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate (CID 145154454) is 3,3-dimethylbutan-2-yl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate.
What is the SMILES notation for 3,3-dimethylbutan-2-yl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate?
The canonical SMILES for 3,3-dimethylbutan-2-yl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate is Cc1nc(C)c(COC(=O)OC(C)C(C)(C)C)nc1C.
What is the InChIKey of 3,3-dimethylbutan-2-yl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate?
The InChIKey is CHIVBZPUUPJIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-9-10(2)17-13(11(3)16-9)8-19-14(18)20-12(4)15(5,6)7/h12H,8H2,1-7H3.
What are the key properties of 3,3-dimethylbutan-2-yl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate?
3,3-dimethylbutan-2-yl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate has a molecular weight of 280.37 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutan-2-yl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate is sourced from PubChem (CID 145154454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).