(2S,5R)-5-benzyl-3,6-dimethoxy-5-methyl-2-propan-2-yl-2H-pyrazine

C17H24N2O2 — CID 10989847

IUPAC(2S,5R)-5-benzyl-3,6-dimethoxy-5-methyl-2-propan-2-yl-2H-pyrazine
SMILESCOC1=N[C@](C)(Cc2ccccc2)C(OC)=N[C@H]1C(C)C
InChIInChI=1S/C17H24N2O2/c1-12(2)14-15(20-4)19-17(3,16(18-14)21-5)11-13-9-7-6-8-10-13/h6-10,12,14H,11H2,1-5H3/t14-,17+/m0/s1
InChIKeyALURIECTJASARL-WMLDXEAASA-N
MW288.39 g/mol
LogP3.12
Rot. Bonds3

About (2S,5R)-5-benzyl-3,6-dimethoxy-5-methyl-2-propan-2-yl-2H-pyrazine

(2S,5R)-5-benzyl-3,6-dimethoxy-5-methyl-2-propan-2-yl-2H-pyrazine (PubChem CID 10989847) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (2S,5R)-5-benzyl-3,6-dimethoxy-5-methyl-2-propan-2-yl-2H-pyrazine.

Molecular Properties

Compound Name(2S,5R)-5-benzyl-3,6-dimethoxy-5-methyl-2-propan-2-yl-2H-pyrazine
PubChem CID10989847
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(2S,5R)-5-benzyl-3,6-dimethoxy-5-methyl-2-propan-2-yl-2H-pyrazine
SMILESCOC1=N[C@](C)(Cc2ccccc2)C(OC)=N[C@H]1C(C)C
InChIInChI=1S/C17H24N2O2/c1-12(2)14-15(20-4)19-17(3,16(18-14)21-5)11-13-9-7-6-8-10-13/h6-10,12,14H,11H2,1-5H3/t14-,17+/m0/s1
InChIKeyALURIECTJASARL-WMLDXEAASA-N
XLogP3.12
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-benzyl-3,6-dimethoxy-5-methyl-2-propan-2-yl-2H-pyrazine?
The IUPAC name of (2S,5R)-5-benzyl-3,6-dimethoxy-5-methyl-2-propan-2-yl-2H-pyrazine (CID 10989847) is (2S,5R)-5-benzyl-3,6-dimethoxy-5-methyl-2-propan-2-yl-2H-pyrazine.
What is the SMILES notation for (2S,5R)-5-benzyl-3,6-dimethoxy-5-methyl-2-propan-2-yl-2H-pyrazine?
The canonical SMILES for (2S,5R)-5-benzyl-3,6-dimethoxy-5-methyl-2-propan-2-yl-2H-pyrazine is COC1=N[C@](C)(Cc2ccccc2)C(OC)=N[C@H]1C(C)C.
What is the InChIKey of (2S,5R)-5-benzyl-3,6-dimethoxy-5-methyl-2-propan-2-yl-2H-pyrazine?
The InChIKey is ALURIECTJASARL-WMLDXEAASA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12(2)14-15(20-4)19-17(3,16(18-14)21-5)11-13-9-7-6-8-10-13/h6-10,12,14H,11H2,1-5H3/t14-,17+/m0/s1.
What are the key properties of (2S,5R)-5-benzyl-3,6-dimethoxy-5-methyl-2-propan-2-yl-2H-pyrazine?
(2S,5R)-5-benzyl-3,6-dimethoxy-5-methyl-2-propan-2-yl-2H-pyrazine has a molecular weight of 288.39 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-benzyl-3,6-dimethoxy-5-methyl-2-propan-2-yl-2H-pyrazine is sourced from PubChem (CID 10989847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).