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

C18H26N2O2 — CID 67914379

IUPAC(2S,5R)-5-benzyl-6-ethoxy-3-methoxy-5-methyl-2-propan-2-yl-2H-pyrazine
SMILESCCOC1=N[C@@H](C(C)C)C(OC)=N[C@]1(C)Cc1ccccc1
InChIInChI=1S/C18H26N2O2/c1-6-22-17-18(4,12-14-10-8-7-9-11-14)20-16(21-5)15(19-17)13(2)3/h7-11,13,15H,6,12H2,1-5H3/t15-,18+/m0/s1
InChIKeyWFEWZGKLQJFMSX-MAUKXSAKSA-N
MW302.42 g/mol
LogP3.51
Rot. Bonds4

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

(2S,5R)-5-benzyl-6-ethoxy-3-methoxy-5-methyl-2-propan-2-yl-2H-pyrazine (PubChem CID 67914379) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (2S,5R)-5-benzyl-6-ethoxy-3-methoxy-5-methyl-2-propan-2-yl-2H-pyrazine.

Molecular Properties

Compound Name(2S,5R)-5-benzyl-6-ethoxy-3-methoxy-5-methyl-2-propan-2-yl-2H-pyrazine
PubChem CID67914379
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(2S,5R)-5-benzyl-6-ethoxy-3-methoxy-5-methyl-2-propan-2-yl-2H-pyrazine
SMILESCCOC1=N[C@@H](C(C)C)C(OC)=N[C@]1(C)Cc1ccccc1
InChIInChI=1S/C18H26N2O2/c1-6-22-17-18(4,12-14-10-8-7-9-11-14)20-16(21-5)15(19-17)13(2)3/h7-11,13,15H,6,12H2,1-5H3/t15-,18+/m0/s1
InChIKeyWFEWZGKLQJFMSX-MAUKXSAKSA-N
XLogP3.51
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.51
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-6-ethoxy-3-methoxy-5-methyl-2-propan-2-yl-2H-pyrazine?
The IUPAC name of (2S,5R)-5-benzyl-6-ethoxy-3-methoxy-5-methyl-2-propan-2-yl-2H-pyrazine (CID 67914379) is (2S,5R)-5-benzyl-6-ethoxy-3-methoxy-5-methyl-2-propan-2-yl-2H-pyrazine.
What is the SMILES notation for (2S,5R)-5-benzyl-6-ethoxy-3-methoxy-5-methyl-2-propan-2-yl-2H-pyrazine?
The canonical SMILES for (2S,5R)-5-benzyl-6-ethoxy-3-methoxy-5-methyl-2-propan-2-yl-2H-pyrazine is CCOC1=N[C@@H](C(C)C)C(OC)=N[C@]1(C)Cc1ccccc1.
What is the InChIKey of (2S,5R)-5-benzyl-6-ethoxy-3-methoxy-5-methyl-2-propan-2-yl-2H-pyrazine?
The InChIKey is WFEWZGKLQJFMSX-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-6-22-17-18(4,12-14-10-8-7-9-11-14)20-16(21-5)15(19-17)13(2)3/h7-11,13,15H,6,12H2,1-5H3/t15-,18+/m0/s1.
What are the key properties of (2S,5R)-5-benzyl-6-ethoxy-3-methoxy-5-methyl-2-propan-2-yl-2H-pyrazine?
(2S,5R)-5-benzyl-6-ethoxy-3-methoxy-5-methyl-2-propan-2-yl-2H-pyrazine has a molecular weight of 302.42 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-benzyl-6-ethoxy-3-methoxy-5-methyl-2-propan-2-yl-2H-pyrazine is sourced from PubChem (CID 67914379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).