[3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]methanamine

C13H15N3O — CID 82474052

IUPAC[3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]methanamine
SMILESCOc1ccc(-c2nccnc2CN)cc1C
InChIInChI=1S/C13H15N3O/c1-9-7-10(3-4-12(9)17-2)13-11(8-14)15-5-6-16-13/h3-7H,8,14H2,1-2H3
InChIKeyGQUXVFOOSWAPJG-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.92
Rot. Bonds3

About [3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]methanamine

[3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]methanamine (PubChem CID 82474052) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is [3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]methanamine
PubChem CID82474052
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name[3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]methanamine
SMILESCOc1ccc(-c2nccnc2CN)cc1C
InChIInChI=1S/C13H15N3O/c1-9-7-10(3-4-12(9)17-2)13-11(8-14)15-5-6-16-13/h3-7H,8,14H2,1-2H3
InChIKeyGQUXVFOOSWAPJG-UHFFFAOYSA-N
XLogP1.92
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[3-(aminomethyl)pyrazin-2-yl]-2-methoxyphenyl]acetamide
CID 96668386
[3-(4-methoxy-2,5-dimethylphenyl)pyrazin-2-yl]methanamine
CID 82478065
[3-(3-fluoro-4-propan-2-yloxyphenyl)pyrazin-2-yl]methanamine
CID 82485077
[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]methanamine
CID 82478923
3-(4-methoxy-3-methylphenyl)-N-propylpyrazin-2-amine
CID 112559373
[3-(4-methoxy-3-methylphenyl)-4-methyl-1,2-oxazol-5-yl]methanamine
CID 83850499
[6-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]methanamine
CID 83850253
4-(4-methoxy-3-methylphenyl)-1,3-thiazol-5-amine
CID 62132077
[5-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 82135501
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine
CID 82285154
[3-(2-methoxy-3,5-dimethylphenyl)pyrazin-2-yl]methanamine
CID 82478093

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]methanamine?
The IUPAC name of [3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]methanamine (CID 82474052) is [3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]methanamine.
What is the SMILES notation for [3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]methanamine?
The canonical SMILES for [3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]methanamine is COc1ccc(-c2nccnc2CN)cc1C.
What is the InChIKey of [3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]methanamine?
The InChIKey is GQUXVFOOSWAPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-7-10(3-4-12(9)17-2)13-11(8-14)15-5-6-16-13/h3-7H,8,14H2,1-2H3.
What are the key properties of [3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]methanamine?
[3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]methanamine has a molecular weight of 229.28 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]methanamine is sourced from PubChem (CID 82474052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).