N-[2-(2-aminophenoxy)ethyl]-3,6-dimethylpyrazin-2-amine

C14H18N4O — CID 54915740

IUPACN-[2-(2-aminophenoxy)ethyl]-3,6-dimethylpyrazin-2-amine
SMILESCc1cnc(C)c(NCCOc2ccccc2N)n1
InChIInChI=1S/C14H18N4O/c1-10-9-17-11(2)14(18-10)16-7-8-19-13-6-4-3-5-12(13)15/h3-6,9H,7-8,15H2,1-2H3,(H,16,18)
InChIKeyUNPLIUZCWUUDMF-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.17
Rot. Bonds5

About N-[2-(2-aminophenoxy)ethyl]-3,6-dimethylpyrazin-2-amine

N-[2-(2-aminophenoxy)ethyl]-3,6-dimethylpyrazin-2-amine (PubChem CID 54915740) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-(2-aminophenoxy)ethyl]-3,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-[2-(2-aminophenoxy)ethyl]-3,6-dimethylpyrazin-2-amine
PubChem CID54915740
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[2-(2-aminophenoxy)ethyl]-3,6-dimethylpyrazin-2-amine
SMILESCc1cnc(C)c(NCCOc2ccccc2N)n1
InChIInChI=1S/C14H18N4O/c1-10-9-17-11(2)14(18-10)16-7-8-19-13-6-4-3-5-12(13)15/h3-6,9H,7-8,15H2,1-2H3,(H,16,18)
InChIKeyUNPLIUZCWUUDMF-UHFFFAOYSA-N
XLogP2.17
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[2-(2-aminophenoxy)ethyl]-3,6-dimethylpyrazin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminophenoxy)ethyl]-3,6-dimethylpyrazin-2-amine?
The IUPAC name of N-[2-(2-aminophenoxy)ethyl]-3,6-dimethylpyrazin-2-amine (CID 54915740) is N-[2-(2-aminophenoxy)ethyl]-3,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-[2-(2-aminophenoxy)ethyl]-3,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-[2-(2-aminophenoxy)ethyl]-3,6-dimethylpyrazin-2-amine is Cc1cnc(C)c(NCCOc2ccccc2N)n1.
What is the InChIKey of N-[2-(2-aminophenoxy)ethyl]-3,6-dimethylpyrazin-2-amine?
The InChIKey is UNPLIUZCWUUDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-9-17-11(2)14(18-10)16-7-8-19-13-6-4-3-5-12(13)15/h3-6,9H,7-8,15H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(2-aminophenoxy)ethyl]-3,6-dimethylpyrazin-2-amine?
N-[2-(2-aminophenoxy)ethyl]-3,6-dimethylpyrazin-2-amine has a molecular weight of 258.32 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminophenoxy)ethyl]-3,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 54915740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).