5-benzyl-3,6-diethoxy-5-propan-2-yl-2H-pyrazine

C18H26N2O2 — CID 134870168

IUPAC5-benzyl-3,6-diethoxy-5-propan-2-yl-2H-pyrazine
SMILESCCOC1=NC(Cc2ccccc2)(C(C)C)C(OCC)=NC1
InChIInChI=1S/C18H26N2O2/c1-5-21-16-13-19-17(22-6-2)18(20-16,14(3)4)12-15-10-8-7-9-11-15/h7-11,14H,5-6,12-13H2,1-4H3
InChIKeyINORAEVOEFCJRU-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.51
Rot. Bonds5

About 5-benzyl-3,6-diethoxy-5-propan-2-yl-2H-pyrazine

5-benzyl-3,6-diethoxy-5-propan-2-yl-2H-pyrazine (PubChem CID 134870168) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 5-benzyl-3,6-diethoxy-5-propan-2-yl-2H-pyrazine.

Molecular Properties

Compound Name5-benzyl-3,6-diethoxy-5-propan-2-yl-2H-pyrazine
PubChem CID134870168
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name5-benzyl-3,6-diethoxy-5-propan-2-yl-2H-pyrazine
SMILESCCOC1=NC(Cc2ccccc2)(C(C)C)C(OCC)=NC1
InChIInChI=1S/C18H26N2O2/c1-5-21-16-13-19-17(22-6-2)18(20-16,14(3)4)12-15-10-8-7-9-11-15/h7-11,14H,5-6,12-13H2,1-4H3
InChIKeyINORAEVOEFCJRU-UHFFFAOYSA-N
XLogP3.51
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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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Related Compounds

AG-H-02521
CID 5325154
(+)-2,2'-Isopropylidenebis[(4R)-4-benzyl-2-oxazoline]
CID 10981320
(4S,4'S)-2,2'-(Pentane-3,3'-diyl)bis(4-benzyl-4,5-dihydrooxazole)
CID 10960121
Pyrazine, 2,5-dihydro-3,6-dimethoxy-2-(1-methylethyl)-5-[(2,4,5-trifluorophenyl)methyl]-, (2S,5R)-
CID 11290377
(2S)-3,6-dimethoxy-2-propan-2-yl-5-[(2,4,5-trifluorophenyl)methyl]-2,5-dihydropyrazine
CID 89867549
4,4-Dimethyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 293675
4-Benzyl-2-methyl-4,5-dihydro-1,3-oxazole
CID 4692621
6-Methoxy-4,4-dimethyl-3-phenyl-2,3,4,5-tetrahydropyridine
CID 132342089
(3R,6S)-3-Benzyl-6-pentafluorophenyl-methyl-2,5-dimethoxy-3,6-dihydro-pyrazine
CID 100984930
(R(R*,R*))-(+)-2,2'-(isopropylidenebis(4-benzyl-2-oxazoline)
CID 4660577
(2S,5R)-2,5-dihydro-2-isopropyl-3,6-dimethoxy-5-benzyl-5-methylpyrazine
CID 10989847
2,2'-Methylenebis((4S)-4-benzyl-4,5-dihydro-2-oxazole)
CID 11028000

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3,6-diethoxy-5-propan-2-yl-2H-pyrazine?
The IUPAC name of 5-benzyl-3,6-diethoxy-5-propan-2-yl-2H-pyrazine (CID 134870168) is 5-benzyl-3,6-diethoxy-5-propan-2-yl-2H-pyrazine.
What is the SMILES notation for 5-benzyl-3,6-diethoxy-5-propan-2-yl-2H-pyrazine?
The canonical SMILES for 5-benzyl-3,6-diethoxy-5-propan-2-yl-2H-pyrazine is CCOC1=NC(Cc2ccccc2)(C(C)C)C(OCC)=NC1.
What is the InChIKey of 5-benzyl-3,6-diethoxy-5-propan-2-yl-2H-pyrazine?
The InChIKey is INORAEVOEFCJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-5-21-16-13-19-17(22-6-2)18(20-16,14(3)4)12-15-10-8-7-9-11-15/h7-11,14H,5-6,12-13H2,1-4H3.
What are the key properties of 5-benzyl-3,6-diethoxy-5-propan-2-yl-2H-pyrazine?
5-benzyl-3,6-diethoxy-5-propan-2-yl-2H-pyrazine has a molecular weight of 302.42 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3,6-diethoxy-5-propan-2-yl-2H-pyrazine is sourced from PubChem (CID 134870168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).