[5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methanamine

C13H14ClN3O — CID 107381680

IUPAC[5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methanamine
SMILESCc1cc(Cl)cc(C)c1Oc1cnc(CN)cn1
InChIInChI=1S/C13H14ClN3O/c1-8-3-10(14)4-9(2)13(8)18-12-7-16-11(5-15)6-17-12/h3-4,6-7H,5,15H2,1-2H3
InChIKeyNJBFUFQUOBLYSQ-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.00
Rot. Bonds3

About [5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methanamine

[5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methanamine (PubChem CID 107381680) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is [5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methanamine
PubChem CID107381680
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name[5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methanamine
SMILESCc1cc(Cl)cc(C)c1Oc1cnc(CN)cn1
InChIInChI=1S/C13H14ClN3O/c1-8-3-10(14)4-9(2)13(8)18-12-7-16-11(5-15)6-17-12/h3-4,6-7H,5,15H2,1-2H3
InChIKeyNJBFUFQUOBLYSQ-UHFFFAOYSA-N
XLogP3.00
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methanamine 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 [5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methanamine?
The IUPAC name of [5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methanamine (CID 107381680) is [5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methanamine.
What is the SMILES notation for [5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methanamine?
The canonical SMILES for [5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methanamine is Cc1cc(Cl)cc(C)c1Oc1cnc(CN)cn1.
What is the InChIKey of [5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methanamine?
The InChIKey is NJBFUFQUOBLYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-8-3-10(14)4-9(2)13(8)18-12-7-16-11(5-15)6-17-12/h3-4,6-7H,5,15H2,1-2H3.
What are the key properties of [5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methanamine?
[5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methanamine has a molecular weight of 263.73 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methanamine is sourced from PubChem (CID 107381680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).