1-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazine

C13H16N2O2 — CID 174982373

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazine
SMILESCOc1ccc(CN2C=CN=CC2)c(OC)c1
InChIInChI=1S/C13H16N2O2/c1-16-12-4-3-11(13(9-12)17-2)10-15-7-5-14-6-8-15/h3-7,9H,8,10H2,1-2H3
InChIKeyARLXDWZTUZBHKJ-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.06
Rot. Bonds4

About 1-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazine

1-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazine (PubChem CID 174982373) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazine.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazine
PubChem CID174982373
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazine
SMILESCOc1ccc(CN2C=CN=CC2)c(OC)c1
InChIInChI=1S/C13H16N2O2/c1-16-12-4-3-11(13(9-12)17-2)10-15-7-5-14-6-8-15/h3-7,9H,8,10H2,1-2H3
InChIKeyARLXDWZTUZBHKJ-UHFFFAOYSA-N
XLogP2.06
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4-dimethoxyphenyl)methyl]pyrrole
CID 63363175
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
1-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 6456141
2-[(2,4-dimethoxyphenyl)methyl]-3H-1,2,4-thiadiazole
CID 150222873
2-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 791234
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
1-(iodomethyl)-2,4-dimethoxybenzene
CID 91883521
1-deuterio-2-[(2,4-dimethoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine
CID 152535816
(4R)-1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-3,4-dihydropyridin-2-one
CID 102049603
1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one
CID 154478411
1-[(2,4-dimethoxyphenyl)methyl]-2H-tetrazole-5-thione
CID 63363129
1-[(4-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 1222780

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazine?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazine (CID 174982373) is 1-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazine.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazine?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazine is COc1ccc(CN2C=CN=CC2)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazine?
The InChIKey is ARLXDWZTUZBHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-16-12-4-3-11(13(9-12)17-2)10-15-7-5-14-6-8-15/h3-7,9H,8,10H2,1-2H3.
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazine?
1-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazine has a molecular weight of 232.28 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazine is sourced from PubChem (CID 174982373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).