2-(3,6-dimethylpyrazin-2-yl)-3-methylbutan-2-ol

C11H18N2O — CID 19787226

IUPAC2-(3,6-dimethylpyrazin-2-yl)-3-methylbutan-2-ol
SMILESCc1cnc(C)c(C(C)(O)C(C)C)n1
InChIInChI=1S/C11H18N2O/c1-7(2)11(5,14)10-9(4)12-6-8(3)13-10/h6-7,14H,1-5H3
InChIKeyDPSYLNJMEIIUTP-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.96
Rot. Bonds2

About 2-(3,6-dimethylpyrazin-2-yl)-3-methylbutan-2-ol

2-(3,6-dimethylpyrazin-2-yl)-3-methylbutan-2-ol (PubChem CID 19787226) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(3,6-dimethylpyrazin-2-yl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name2-(3,6-dimethylpyrazin-2-yl)-3-methylbutan-2-ol
PubChem CID19787226
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-(3,6-dimethylpyrazin-2-yl)-3-methylbutan-2-ol
SMILESCc1cnc(C)c(C(C)(O)C(C)C)n1
InChIInChI=1S/C11H18N2O/c1-7(2)11(5,14)10-9(4)12-6-8(3)13-10/h6-7,14H,1-5H3
InChIKeyDPSYLNJMEIIUTP-UHFFFAOYSA-N
XLogP1.96
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethylpyrazin-2-yl)-3-methylbutan-2-ol?
The IUPAC name of 2-(3,6-dimethylpyrazin-2-yl)-3-methylbutan-2-ol (CID 19787226) is 2-(3,6-dimethylpyrazin-2-yl)-3-methylbutan-2-ol.
What is the SMILES notation for 2-(3,6-dimethylpyrazin-2-yl)-3-methylbutan-2-ol?
The canonical SMILES for 2-(3,6-dimethylpyrazin-2-yl)-3-methylbutan-2-ol is Cc1cnc(C)c(C(C)(O)C(C)C)n1.
What is the InChIKey of 2-(3,6-dimethylpyrazin-2-yl)-3-methylbutan-2-ol?
The InChIKey is DPSYLNJMEIIUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7(2)11(5,14)10-9(4)12-6-8(3)13-10/h6-7,14H,1-5H3.
What are the key properties of 2-(3,6-dimethylpyrazin-2-yl)-3-methylbutan-2-ol?
2-(3,6-dimethylpyrazin-2-yl)-3-methylbutan-2-ol has a molecular weight of 194.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethylpyrazin-2-yl)-3-methylbutan-2-ol is sourced from PubChem (CID 19787226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).