[(5S)-6-ethoxy-3-methoxy-5-methyl-2-propan-2-yl-2H-pyrazin-5-yl]methanamine

C12H23N3O2 — CID 138747265

IUPAC[(5S)-6-ethoxy-3-methoxy-5-methyl-2-propan-2-yl-2H-pyrazin-5-yl]methanamine
SMILESCCOC1=NC(C(C)C)C(OC)=N[C@@]1(C)CN
InChIInChI=1S/C12H23N3O2/c1-6-17-11-12(4,7-13)15-10(16-5)9(14-11)8(2)3/h8-9H,6-7,13H2,1-5H3/t9?,12-/m0/s1
InChIKeyHPRMSQHYBNZYQO-ACGXKRRESA-N
MW241.33 g/mol
LogP1.22
Rot. Bonds3

About [(5S)-6-ethoxy-3-methoxy-5-methyl-2-propan-2-yl-2H-pyrazin-5-yl]methanamine

[(5S)-6-ethoxy-3-methoxy-5-methyl-2-propan-2-yl-2H-pyrazin-5-yl]methanamine (PubChem CID 138747265) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is [(5S)-6-ethoxy-3-methoxy-5-methyl-2-propan-2-yl-2H-pyrazin-5-yl]methanamine.

Molecular Properties

Compound Name[(5S)-6-ethoxy-3-methoxy-5-methyl-2-propan-2-yl-2H-pyrazin-5-yl]methanamine
PubChem CID138747265
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name[(5S)-6-ethoxy-3-methoxy-5-methyl-2-propan-2-yl-2H-pyrazin-5-yl]methanamine
SMILESCCOC1=NC(C(C)C)C(OC)=N[C@@]1(C)CN
InChIInChI=1S/C12H23N3O2/c1-6-17-11-12(4,7-13)15-10(16-5)9(14-11)8(2)3/h8-9H,6-7,13H2,1-5H3/t9?,12-/m0/s1
InChIKeyHPRMSQHYBNZYQO-ACGXKRRESA-N
XLogP1.22
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(5S)-6-ethoxy-3-methoxy-5-methyl-2-propan-2-yl-2H-pyrazin-5-yl]methanamine?
The IUPAC name of [(5S)-6-ethoxy-3-methoxy-5-methyl-2-propan-2-yl-2H-pyrazin-5-yl]methanamine (CID 138747265) is [(5S)-6-ethoxy-3-methoxy-5-methyl-2-propan-2-yl-2H-pyrazin-5-yl]methanamine.
What is the SMILES notation for [(5S)-6-ethoxy-3-methoxy-5-methyl-2-propan-2-yl-2H-pyrazin-5-yl]methanamine?
The canonical SMILES for [(5S)-6-ethoxy-3-methoxy-5-methyl-2-propan-2-yl-2H-pyrazin-5-yl]methanamine is CCOC1=NC(C(C)C)C(OC)=N[C@@]1(C)CN.
What is the InChIKey of [(5S)-6-ethoxy-3-methoxy-5-methyl-2-propan-2-yl-2H-pyrazin-5-yl]methanamine?
The InChIKey is HPRMSQHYBNZYQO-ACGXKRRESA-N. The full InChI is InChI=1S/C12H23N3O2/c1-6-17-11-12(4,7-13)15-10(16-5)9(14-11)8(2)3/h8-9H,6-7,13H2,1-5H3/t9?,12-/m0/s1.
What are the key properties of [(5S)-6-ethoxy-3-methoxy-5-methyl-2-propan-2-yl-2H-pyrazin-5-yl]methanamine?
[(5S)-6-ethoxy-3-methoxy-5-methyl-2-propan-2-yl-2H-pyrazin-5-yl]methanamine has a molecular weight of 241.33 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-6-ethoxy-3-methoxy-5-methyl-2-propan-2-yl-2H-pyrazin-5-yl]methanamine is sourced from PubChem (CID 138747265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).