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

C13H15N3O2 — CID 82478923

IUPAC[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]methanamine
SMILESCOc1ccc(OC)c(-c2nccnc2CN)c1
InChIInChI=1S/C13H15N3O2/c1-17-9-3-4-12(18-2)10(7-9)13-11(8-14)15-5-6-16-13/h3-7H,8,14H2,1-2H3
InChIKeyVDJPTDSVKFVTHK-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.62
Rot. Bonds4

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

[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]methanamine (PubChem CID 82478923) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is [3-(2,5-dimethoxyphenyl)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]methanamine
PubChem CID82478923
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]methanamine
SMILESCOc1ccc(OC)c(-c2nccnc2CN)c1
InChIInChI=1S/C13H15N3O2/c1-17-9-3-4-12(18-2)10(7-9)13-11(8-14)15-5-6-16-13/h3-7H,8,14H2,1-2H3
InChIKeyVDJPTDSVKFVTHK-UHFFFAOYSA-N
XLogP1.62
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]acetic acid
CID 82488923
[3-(4-methoxy-2,5-dimethylphenyl)pyrazin-2-yl]methanamine
CID 82478065
2-(2,5-dimethoxyphenyl)-4-methylpyridin-3-amine
CID 114051131
[3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]methanamine
CID 82474052
[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 28709843
[5-bromo-4-(2,5-dimethoxyphenyl)-1-methylimidazol-2-yl]methanamine
CID 84606680
6-(2,5-dimethoxyphenyl)-1,2,4-triazin-5-amine
CID 116822972
[3-(2-methoxy-3,5-dimethylphenyl)pyrazin-2-yl]methanamine
CID 82478093
N-[5-[3-(aminomethyl)pyrazin-2-yl]-2-methoxyphenyl]acetamide
CID 96668386
2-[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
CID 94693410
2-(2,5-dimethoxyphenyl)-4-fluoropyridine
CID 102824456
[3-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine
CID 104706871

Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dimethoxyphenyl)pyrazin-2-yl]methanamine?
The IUPAC name of [3-(2,5-dimethoxyphenyl)pyrazin-2-yl]methanamine (CID 82478923) is [3-(2,5-dimethoxyphenyl)pyrazin-2-yl]methanamine.
What is the SMILES notation for [3-(2,5-dimethoxyphenyl)pyrazin-2-yl]methanamine?
The canonical SMILES for [3-(2,5-dimethoxyphenyl)pyrazin-2-yl]methanamine is COc1ccc(OC)c(-c2nccnc2CN)c1.
What is the InChIKey of [3-(2,5-dimethoxyphenyl)pyrazin-2-yl]methanamine?
The InChIKey is VDJPTDSVKFVTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-17-9-3-4-12(18-2)10(7-9)13-11(8-14)15-5-6-16-13/h3-7H,8,14H2,1-2H3.
What are the key properties of [3-(2,5-dimethoxyphenyl)pyrazin-2-yl]methanamine?
[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]methanamine has a molecular weight of 245.28 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dimethoxyphenyl)pyrazin-2-yl]methanamine is sourced from PubChem (CID 82478923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).