2-N-(2,5-dichloro-4-methylphenyl)-6-N-ethylpyrazine-2,6-diamine

C13H14Cl2N4 — CID 104728613

IUPAC2-N-(2,5-dichloro-4-methylphenyl)-6-N-ethylpyrazine-2,6-diamine
SMILESCCNc1cncc(Nc2cc(Cl)c(C)cc2Cl)n1
InChIInChI=1S/C13H14Cl2N4/c1-3-17-12-6-16-7-13(19-12)18-11-5-9(14)8(2)4-10(11)15/h4-7H,3H2,1-2H3,(H2,17,18,19)
InChIKeyVELMHNHMQCHHHU-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.27
Rot. Bonds4

About 2-N-(2,5-dichloro-4-methylphenyl)-6-N-ethylpyrazine-2,6-diamine

2-N-(2,5-dichloro-4-methylphenyl)-6-N-ethylpyrazine-2,6-diamine (PubChem CID 104728613) has the molecular formula C13H14Cl2N4 and a molecular weight of 297.19 g/mol. Its IUPAC name is 2-N-(2,5-dichloro-4-methylphenyl)-6-N-ethylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2,5-dichloro-4-methylphenyl)-6-N-ethylpyrazine-2,6-diamine
PubChem CID104728613
Molecular FormulaC13H14Cl2N4
Molecular Weight297.19 g/mol
Exact Mass296.06
IUPAC Name2-N-(2,5-dichloro-4-methylphenyl)-6-N-ethylpyrazine-2,6-diamine
SMILESCCNc1cncc(Nc2cc(Cl)c(C)cc2Cl)n1
InChIInChI=1S/C13H14Cl2N4/c1-3-17-12-6-16-7-13(19-12)18-11-5-9(14)8(2)4-10(11)15/h4-7H,3H2,1-2H3,(H2,17,18,19)
InChIKeyVELMHNHMQCHHHU-UHFFFAOYSA-N
XLogP4.27
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-(2,5-dichloro-4-methylphenyl)-6-N-ethylpyrazine-2,6-diamine with MolForge

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

Launch Full Analysis

Related Compounds

2-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-propylpyrazine-2,6-diamine
CID 104725516
2-N-(2,5-difluoro-4-methylphenyl)-6-N-ethylpyrazine-2,6-diamine
CID 103587838
6-N-methyl-2-N-(2,4,5-trichlorophenyl)pyrazine-2,6-diamine
CID 80759464
2-N-(5-bromo-2,4-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 102855613
6-N-ethyl-2-N-(2,3,5-trifluorophenyl)pyrazine-2,6-diamine
CID 80825638
6-N-ethyl-2-N-(4-methylphenyl)pyrazine-2,6-diamine
CID 80761835
2-N-(2-bromo-6-chloro-4-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 107617682
2-N-(2-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80757277
6-N-ethyl-2-N-(3-iodo-4-methylphenyl)pyrazine-2,6-diamine
CID 114258187
2-N-(4-bromo-2-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80759491
6-N-ethyl-2-N-(2-propylphenyl)pyrazine-2,6-diamine
CID 80807077
6-N-ethyl-2-N-(3-fluoro-5-methylphenyl)pyrazine-2,6-diamine
CID 80851533

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,5-dichloro-4-methylphenyl)-6-N-ethylpyrazine-2,6-diamine?
The IUPAC name of 2-N-(2,5-dichloro-4-methylphenyl)-6-N-ethylpyrazine-2,6-diamine (CID 104728613) is 2-N-(2,5-dichloro-4-methylphenyl)-6-N-ethylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(2,5-dichloro-4-methylphenyl)-6-N-ethylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-(2,5-dichloro-4-methylphenyl)-6-N-ethylpyrazine-2,6-diamine is CCNc1cncc(Nc2cc(Cl)c(C)cc2Cl)n1.
What is the InChIKey of 2-N-(2,5-dichloro-4-methylphenyl)-6-N-ethylpyrazine-2,6-diamine?
The InChIKey is VELMHNHMQCHHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4/c1-3-17-12-6-16-7-13(19-12)18-11-5-9(14)8(2)4-10(11)15/h4-7H,3H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-N-(2,5-dichloro-4-methylphenyl)-6-N-ethylpyrazine-2,6-diamine?
2-N-(2,5-dichloro-4-methylphenyl)-6-N-ethylpyrazine-2,6-diamine has a molecular weight of 297.19 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,5-dichloro-4-methylphenyl)-6-N-ethylpyrazine-2,6-diamine is sourced from PubChem (CID 104728613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).