2-methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-ol

C11H18N2O2 — CID 116713265

IUPAC2-methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-ol
SMILESCOC(C(O)c1cnccn1)C(C)(C)C
InChIInChI=1S/C11H18N2O2/c1-11(2,3)10(15-4)9(14)8-7-12-5-6-13-8/h5-7,9-10,14H,1-4H3
InChIKeyRPYGTLCLGAZUQQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.57
Rot. Bonds3

About 2-methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-ol

2-methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-ol (PubChem CID 116713265) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-ol.

Molecular Properties

Compound Name2-methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-ol
PubChem CID116713265
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-ol
SMILESCOC(C(O)c1cnccn1)C(C)(C)C
InChIInChI=1S/C11H18N2O2/c1-11(2,3)10(15-4)9(14)8-7-12-5-6-13-8/h5-7,9-10,14H,1-4H3
InChIKeyRPYGTLCLGAZUQQ-UHFFFAOYSA-N
XLogP1.57
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-ol?
The IUPAC name of 2-methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-ol (CID 116713265) is 2-methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-ol.
What is the SMILES notation for 2-methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-ol?
The canonical SMILES for 2-methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-ol is COC(C(O)c1cnccn1)C(C)(C)C.
What is the InChIKey of 2-methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-ol?
The InChIKey is RPYGTLCLGAZUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-11(2,3)10(15-4)9(14)8-7-12-5-6-13-8/h5-7,9-10,14H,1-4H3.
What are the key properties of 2-methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-ol?
2-methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-ol has a molecular weight of 210.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-ol is sourced from PubChem (CID 116713265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).