2-(3,6-dimethoxy-5-propan-2-ylpyrazin-2-yl)ethanol

C11H18N2O3 — CID 67633133

IUPAC2-(3,6-dimethoxy-5-propan-2-ylpyrazin-2-yl)ethanol
SMILESCOc1nc(C(C)C)c(OC)nc1CCO
InChIInChI=1S/C11H18N2O3/c1-7(2)9-11(16-4)12-8(5-6-14)10(13-9)15-3/h7,14H,5-6H2,1-4H3
InChIKeyFKGOJGSHKMMJKP-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.15
Rot. Bonds5

About 2-(3,6-dimethoxy-5-propan-2-ylpyrazin-2-yl)ethanol

2-(3,6-dimethoxy-5-propan-2-ylpyrazin-2-yl)ethanol (PubChem CID 67633133) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(3,6-dimethoxy-5-propan-2-ylpyrazin-2-yl)ethanol.

Molecular Properties

Compound Name2-(3,6-dimethoxy-5-propan-2-ylpyrazin-2-yl)ethanol
PubChem CID67633133
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-(3,6-dimethoxy-5-propan-2-ylpyrazin-2-yl)ethanol
SMILESCOc1nc(C(C)C)c(OC)nc1CCO
InChIInChI=1S/C11H18N2O3/c1-7(2)9-11(16-4)12-8(5-6-14)10(13-9)15-3/h7,14H,5-6H2,1-4H3
InChIKeyFKGOJGSHKMMJKP-UHFFFAOYSA-N
XLogP1.15
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethoxy-5-propan-2-ylpyrazin-2-yl)ethanol?
The IUPAC name of 2-(3,6-dimethoxy-5-propan-2-ylpyrazin-2-yl)ethanol (CID 67633133) is 2-(3,6-dimethoxy-5-propan-2-ylpyrazin-2-yl)ethanol.
What is the SMILES notation for 2-(3,6-dimethoxy-5-propan-2-ylpyrazin-2-yl)ethanol?
The canonical SMILES for 2-(3,6-dimethoxy-5-propan-2-ylpyrazin-2-yl)ethanol is COc1nc(C(C)C)c(OC)nc1CCO.
What is the InChIKey of 2-(3,6-dimethoxy-5-propan-2-ylpyrazin-2-yl)ethanol?
The InChIKey is FKGOJGSHKMMJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-7(2)9-11(16-4)12-8(5-6-14)10(13-9)15-3/h7,14H,5-6H2,1-4H3.
What are the key properties of 2-(3,6-dimethoxy-5-propan-2-ylpyrazin-2-yl)ethanol?
2-(3,6-dimethoxy-5-propan-2-ylpyrazin-2-yl)ethanol has a molecular weight of 226.28 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethoxy-5-propan-2-ylpyrazin-2-yl)ethanol is sourced from PubChem (CID 67633133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).