2-N-(5-chloro-2-methylphenyl)-6-N-methylpyrazine-2,6-diamine

C12H13ClN4 — CID 80755142

IUPAC2-N-(5-chloro-2-methylphenyl)-6-N-methylpyrazine-2,6-diamine
SMILESCNc1cncc(Nc2cc(Cl)ccc2C)n1
InChIInChI=1S/C12H13ClN4/c1-8-3-4-9(13)5-10(8)16-12-7-15-6-11(14-2)17-12/h3-7H,1-2H3,(H2,14,16,17)
InChIKeyAHHGSOVJIXRDGX-UHFFFAOYSA-N
MW248.72 g/mol
LogP3.22
Rot. Bonds3

About 2-N-(5-chloro-2-methylphenyl)-6-N-methylpyrazine-2,6-diamine

2-N-(5-chloro-2-methylphenyl)-6-N-methylpyrazine-2,6-diamine (PubChem CID 80755142) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is 2-N-(5-chloro-2-methylphenyl)-6-N-methylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(5-chloro-2-methylphenyl)-6-N-methylpyrazine-2,6-diamine
PubChem CID80755142
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name2-N-(5-chloro-2-methylphenyl)-6-N-methylpyrazine-2,6-diamine
SMILESCNc1cncc(Nc2cc(Cl)ccc2C)n1
InChIInChI=1S/C12H13ClN4/c1-8-3-4-9(13)5-10(8)16-12-7-15-6-11(14-2)17-12/h3-7H,1-2H3,(H2,14,16,17)
InChIKeyAHHGSOVJIXRDGX-UHFFFAOYSA-N
XLogP3.22
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(5-chloro-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80755709
2-N-(4-chlorophenyl)-6-N-methylpyrazine-2,6-diamine
CID 80760465
2-N-(4-chloro-2-methylphenyl)pyrazine-2,6-diamine
CID 80648132
4-N-(5-chloro-2-methylphenyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769943
6-N-methyl-2-N-(2,4,5-trichlorophenyl)pyrazine-2,6-diamine
CID 80759464
N-(5-chloro-2-methylphenyl)-6-hydrazinylpyridin-2-amine
CID 80916740
3-N-tert-butyl-5-N-(5-chloro-2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112959054
N-(5-chloro-2-methylphenyl)quinolin-2-amine
CID 82536306
3-N-(5-chloro-2-methylphenyl)-5-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966363
3-N-(5-chloro-2-methylphenyl)-5-N-(2,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963144
5-N-(5-chloro-2-methylphenyl)-3-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963575
5-N-(5-chloro-2-methylphenyl)-3-N-(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963744

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloro-2-methylphenyl)-6-N-methylpyrazine-2,6-diamine?
The IUPAC name of 2-N-(5-chloro-2-methylphenyl)-6-N-methylpyrazine-2,6-diamine (CID 80755142) is 2-N-(5-chloro-2-methylphenyl)-6-N-methylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(5-chloro-2-methylphenyl)-6-N-methylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-(5-chloro-2-methylphenyl)-6-N-methylpyrazine-2,6-diamine is CNc1cncc(Nc2cc(Cl)ccc2C)n1.
What is the InChIKey of 2-N-(5-chloro-2-methylphenyl)-6-N-methylpyrazine-2,6-diamine?
The InChIKey is AHHGSOVJIXRDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c1-8-3-4-9(13)5-10(8)16-12-7-15-6-11(14-2)17-12/h3-7H,1-2H3,(H2,14,16,17).
What are the key properties of 2-N-(5-chloro-2-methylphenyl)-6-N-methylpyrazine-2,6-diamine?
2-N-(5-chloro-2-methylphenyl)-6-N-methylpyrazine-2,6-diamine has a molecular weight of 248.72 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloro-2-methylphenyl)-6-N-methylpyrazine-2,6-diamine is sourced from PubChem (CID 80755142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).