[3-(2-methoxy-3,5-dimethylphenyl)pyrazin-2-yl]methanamine

C14H17N3O — CID 82478093

IUPAC[3-(2-methoxy-3,5-dimethylphenyl)pyrazin-2-yl]methanamine
SMILESCOc1c(C)cc(C)cc1-c1nccnc1CN
InChIInChI=1S/C14H17N3O/c1-9-6-10(2)14(18-3)11(7-9)13-12(8-15)16-4-5-17-13/h4-7H,8,15H2,1-3H3
InChIKeyVJQYHWXDBLDNNB-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.23
Rot. Bonds3

About [3-(2-methoxy-3,5-dimethylphenyl)pyrazin-2-yl]methanamine

[3-(2-methoxy-3,5-dimethylphenyl)pyrazin-2-yl]methanamine (PubChem CID 82478093) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is [3-(2-methoxy-3,5-dimethylphenyl)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[3-(2-methoxy-3,5-dimethylphenyl)pyrazin-2-yl]methanamine
PubChem CID82478093
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name[3-(2-methoxy-3,5-dimethylphenyl)pyrazin-2-yl]methanamine
SMILESCOc1c(C)cc(C)cc1-c1nccnc1CN
InChIInChI=1S/C14H17N3O/c1-9-6-10(2)14(18-3)11(7-9)13-12(8-15)16-4-5-17-13/h4-7H,8,15H2,1-3H3
InChIKeyVJQYHWXDBLDNNB-UHFFFAOYSA-N
XLogP2.23
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-methoxy-2,5-dimethylphenyl)pyrazin-2-yl]methanamine
CID 82478065
[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]methanamine
CID 82478923
4-(2-methoxy-3,5-dimethylphenyl)-2-methylpyrimidine
CID 116903911
2-[4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid
CID 82301640
2-[4-(2-methoxy-3,5-dimethylphenyl)pyrimidin-5-yl]acetic acid
CID 82306329
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
[2-(3-methoxypyrazin-2-yl)-4-methylphenyl]methanamine
CID 104516233
2-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 4031915
2-[5-(2-methoxy-3,5-dimethylphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82484719
2-(2-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde
CID 82307318
5-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1H-pyrazol-3-amine
CID 116827245
2-chloro-4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazole
CID 116968103

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxy-3,5-dimethylphenyl)pyrazin-2-yl]methanamine?
The IUPAC name of [3-(2-methoxy-3,5-dimethylphenyl)pyrazin-2-yl]methanamine (CID 82478093) is [3-(2-methoxy-3,5-dimethylphenyl)pyrazin-2-yl]methanamine.
What is the SMILES notation for [3-(2-methoxy-3,5-dimethylphenyl)pyrazin-2-yl]methanamine?
The canonical SMILES for [3-(2-methoxy-3,5-dimethylphenyl)pyrazin-2-yl]methanamine is COc1c(C)cc(C)cc1-c1nccnc1CN.
What is the InChIKey of [3-(2-methoxy-3,5-dimethylphenyl)pyrazin-2-yl]methanamine?
The InChIKey is VJQYHWXDBLDNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-6-10(2)14(18-3)11(7-9)13-12(8-15)16-4-5-17-13/h4-7H,8,15H2,1-3H3.
What are the key properties of [3-(2-methoxy-3,5-dimethylphenyl)pyrazin-2-yl]methanamine?
[3-(2-methoxy-3,5-dimethylphenyl)pyrazin-2-yl]methanamine has a molecular weight of 243.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxy-3,5-dimethylphenyl)pyrazin-2-yl]methanamine is sourced from PubChem (CID 82478093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).