3,6-dimethoxy-2-[2-(2-methylphenyl)ethyl]-5-propan-2-yl-2,5-dihydropyrazine

C18H26N2O2 — CID 123665977

IUPAC3,6-dimethoxy-2-[2-(2-methylphenyl)ethyl]-5-propan-2-yl-2,5-dihydropyrazine
SMILESCOC1=NC(C(C)C)C(OC)=NC1CCc1ccccc1C
InChIInChI=1S/C18H26N2O2/c1-12(2)16-18(22-5)19-15(17(20-16)21-4)11-10-14-9-7-6-8-13(14)3/h6-9,12,15-16H,10-11H2,1-5H3
InChIKeyWRTGJHUPNCSVSG-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.42
Rot. Bonds4

About 3,6-dimethoxy-2-[2-(2-methylphenyl)ethyl]-5-propan-2-yl-2,5-dihydropyrazine

3,6-dimethoxy-2-[2-(2-methylphenyl)ethyl]-5-propan-2-yl-2,5-dihydropyrazine (PubChem CID 123665977) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3,6-dimethoxy-2-[2-(2-methylphenyl)ethyl]-5-propan-2-yl-2,5-dihydropyrazine.

Molecular Properties

Compound Name3,6-dimethoxy-2-[2-(2-methylphenyl)ethyl]-5-propan-2-yl-2,5-dihydropyrazine
PubChem CID123665977
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3,6-dimethoxy-2-[2-(2-methylphenyl)ethyl]-5-propan-2-yl-2,5-dihydropyrazine
SMILESCOC1=NC(C(C)C)C(OC)=NC1CCc1ccccc1C
InChIInChI=1S/C18H26N2O2/c1-12(2)16-18(22-5)19-15(17(20-16)21-4)11-10-14-9-7-6-8-13(14)3/h6-9,12,15-16H,10-11H2,1-5H3
InChIKeyWRTGJHUPNCSVSG-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,6-dimethoxy-2-[2-(2-methylphenyl)ethyl]-5-propan-2-yl-2,5-dihydropyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
(2S,5R)-2,5-dihydro-2-isopropyl-3,6-dimethoxy-5-benzyl-5-methylpyrazine
CID 10989847
(2R,5S)-2-[(2,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine
CID 11232137
(2R,5S)-2,5-dihydro-3,6-dimethoxy-2-(2'-fluoro-4'-(trifluoromethyl)benzyl)-5-isopropylpyrazine
CID 20628238
2-[[2-Fluoro-4-(trifluoromethyl)phenyl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine
CID 21911212
(2S,5R)-3,6-dimethoxy-2-(propan-2-yl)-5-[(2,4,5-trifluorophenyl)methyl]-2,5-dihydropyrazine
CID 53442579
(2R,5S)-2-Isopropyl-3,6-dimethoxy-5-(4,4,4-trifluoro-3-phenyl-butyl)-2,5-dihydro-pyrazine
CID 67177689
(2S,5R)-2-[(3,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine
CID 69043559
2-[(2,5-Difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine
CID 72761555

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethoxy-2-[2-(2-methylphenyl)ethyl]-5-propan-2-yl-2,5-dihydropyrazine?
The IUPAC name of 3,6-dimethoxy-2-[2-(2-methylphenyl)ethyl]-5-propan-2-yl-2,5-dihydropyrazine (CID 123665977) is 3,6-dimethoxy-2-[2-(2-methylphenyl)ethyl]-5-propan-2-yl-2,5-dihydropyrazine.
What is the SMILES notation for 3,6-dimethoxy-2-[2-(2-methylphenyl)ethyl]-5-propan-2-yl-2,5-dihydropyrazine?
The canonical SMILES for 3,6-dimethoxy-2-[2-(2-methylphenyl)ethyl]-5-propan-2-yl-2,5-dihydropyrazine is COC1=NC(C(C)C)C(OC)=NC1CCc1ccccc1C.
What is the InChIKey of 3,6-dimethoxy-2-[2-(2-methylphenyl)ethyl]-5-propan-2-yl-2,5-dihydropyrazine?
The InChIKey is WRTGJHUPNCSVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-12(2)16-18(22-5)19-15(17(20-16)21-4)11-10-14-9-7-6-8-13(14)3/h6-9,12,15-16H,10-11H2,1-5H3.
What are the key properties of 3,6-dimethoxy-2-[2-(2-methylphenyl)ethyl]-5-propan-2-yl-2,5-dihydropyrazine?
3,6-dimethoxy-2-[2-(2-methylphenyl)ethyl]-5-propan-2-yl-2,5-dihydropyrazine has a molecular weight of 302.42 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethoxy-2-[2-(2-methylphenyl)ethyl]-5-propan-2-yl-2,5-dihydropyrazine is sourced from PubChem (CID 123665977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).