(2S,5S)-3,6-diethoxy-2-ethyl-5-propan-2-yl-2,5-dihydropyrazine

C13H24N2O2 — CID 100935179

IUPAC(2S,5S)-3,6-diethoxy-2-ethyl-5-propan-2-yl-2,5-dihydropyrazine
SMILESCCOC1=N[C@@H](C(C)C)C(OCC)=N[C@H]1CC
InChIInChI=1S/C13H24N2O2/c1-6-10-12(16-7-2)15-11(9(4)5)13(14-10)17-8-3/h9-11H,6-8H2,1-5H3/t10-,11-/m0/s1
InChIKeyYIXXMMLVVXLJES-QWRGUYRKSA-N
MW240.35 g/mol
LogP2.67
Rot. Bonds4

About (2S,5S)-3,6-diethoxy-2-ethyl-5-propan-2-yl-2,5-dihydropyrazine

(2S,5S)-3,6-diethoxy-2-ethyl-5-propan-2-yl-2,5-dihydropyrazine (PubChem CID 100935179) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (2S,5S)-3,6-diethoxy-2-ethyl-5-propan-2-yl-2,5-dihydropyrazine.

Molecular Properties

Compound Name(2S,5S)-3,6-diethoxy-2-ethyl-5-propan-2-yl-2,5-dihydropyrazine
PubChem CID100935179
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(2S,5S)-3,6-diethoxy-2-ethyl-5-propan-2-yl-2,5-dihydropyrazine
SMILESCCOC1=N[C@@H](C(C)C)C(OCC)=N[C@H]1CC
InChIInChI=1S/C13H24N2O2/c1-6-10-12(16-7-2)15-11(9(4)5)13(14-10)17-8-3/h9-11H,6-8H2,1-5H3/t10-,11-/m0/s1
InChIKeyYIXXMMLVVXLJES-QWRGUYRKSA-N
XLogP2.67
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-diethoxy-2-propan-2-yl-5-propyl-2,5-dihydropyrazine
CID 161224014
(2R,5R)-3,6-diethoxy-2-[[[(2R,5R)-6-ethoxy-3-methyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyldisulfanyl]methyl]-5-propan-2-yl-2,5-dihydropyrazine
CID 87664416
5-[(2R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]pentan-1-amine
CID 54446328
(2S,5R)-2-benzyl-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine
CID 67746400
3-[(2S,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]prop-1-ynyl-triethylsilane
CID 15484763
2-[3-[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]prop-1-ynyl]aniline
CID 11186908
(2S,5R)-2-[(E)-2-diethoxyphosphoryl-3-phenylprop-2-enyl]-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine
CID 12963987
[5,6-dichloro-3-[[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-1H-indol-2-yl]-triethylsilane
CID 10929451
[3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-6-methoxy-1H-indol-2-yl]-trimethylsilane
CID 100927484
(S)-[(5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol
CID 162763204
[3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-fluoro-1H-indol-2-yl]-trimethylsilane
CID 100927485
(4S)-3-[8-[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]octanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15813594

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-3,6-diethoxy-2-ethyl-5-propan-2-yl-2,5-dihydropyrazine?
The IUPAC name of (2S,5S)-3,6-diethoxy-2-ethyl-5-propan-2-yl-2,5-dihydropyrazine (CID 100935179) is (2S,5S)-3,6-diethoxy-2-ethyl-5-propan-2-yl-2,5-dihydropyrazine.
What is the SMILES notation for (2S,5S)-3,6-diethoxy-2-ethyl-5-propan-2-yl-2,5-dihydropyrazine?
The canonical SMILES for (2S,5S)-3,6-diethoxy-2-ethyl-5-propan-2-yl-2,5-dihydropyrazine is CCOC1=N[C@@H](C(C)C)C(OCC)=N[C@H]1CC.
What is the InChIKey of (2S,5S)-3,6-diethoxy-2-ethyl-5-propan-2-yl-2,5-dihydropyrazine?
The InChIKey is YIXXMMLVVXLJES-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-6-10-12(16-7-2)15-11(9(4)5)13(14-10)17-8-3/h9-11H,6-8H2,1-5H3/t10-,11-/m0/s1.
What are the key properties of (2S,5S)-3,6-diethoxy-2-ethyl-5-propan-2-yl-2,5-dihydropyrazine?
(2S,5S)-3,6-diethoxy-2-ethyl-5-propan-2-yl-2,5-dihydropyrazine has a molecular weight of 240.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-3,6-diethoxy-2-ethyl-5-propan-2-yl-2,5-dihydropyrazine is sourced from PubChem (CID 100935179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).