6-(2,3-dimethylphenyl)-4-N-methylpyridine-2,4-diamine

C14H17N3 — CID 155541155

IUPAC6-(2,3-dimethylphenyl)-4-N-methylpyridine-2,4-diamine
SMILESCNc1cc(N)nc(-c2cccc(C)c2C)c1
InChIInChI=1S/C14H17N3/c1-9-5-4-6-12(10(9)2)13-7-11(16-3)8-14(15)17-13/h4-8H,1-3H3,(H3,15,16,17)
InChIKeyFAXYHKSXLZWVLG-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.99
Rot. Bonds2

About 6-(2,3-dimethylphenyl)-4-N-methylpyridine-2,4-diamine

6-(2,3-dimethylphenyl)-4-N-methylpyridine-2,4-diamine (PubChem CID 155541155) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 6-(2,3-dimethylphenyl)-4-N-methylpyridine-2,4-diamine.

Molecular Properties

Compound Name6-(2,3-dimethylphenyl)-4-N-methylpyridine-2,4-diamine
PubChem CID155541155
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name6-(2,3-dimethylphenyl)-4-N-methylpyridine-2,4-diamine
SMILESCNc1cc(N)nc(-c2cccc(C)c2C)c1
InChIInChI=1S/C14H17N3/c1-9-5-4-6-12(10(9)2)13-7-11(16-3)8-14(15)17-13/h4-8H,1-3H3,(H3,15,16,17)
InChIKeyFAXYHKSXLZWVLG-UHFFFAOYSA-N
XLogP2.99
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylphenyl)-4-N-methylpyridine-2,4-diamine?
The IUPAC name of 6-(2,3-dimethylphenyl)-4-N-methylpyridine-2,4-diamine (CID 155541155) is 6-(2,3-dimethylphenyl)-4-N-methylpyridine-2,4-diamine.
What is the SMILES notation for 6-(2,3-dimethylphenyl)-4-N-methylpyridine-2,4-diamine?
The canonical SMILES for 6-(2,3-dimethylphenyl)-4-N-methylpyridine-2,4-diamine is CNc1cc(N)nc(-c2cccc(C)c2C)c1.
What is the InChIKey of 6-(2,3-dimethylphenyl)-4-N-methylpyridine-2,4-diamine?
The InChIKey is FAXYHKSXLZWVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-9-5-4-6-12(10(9)2)13-7-11(16-3)8-14(15)17-13/h4-8H,1-3H3,(H3,15,16,17).
What are the key properties of 6-(2,3-dimethylphenyl)-4-N-methylpyridine-2,4-diamine?
6-(2,3-dimethylphenyl)-4-N-methylpyridine-2,4-diamine has a molecular weight of 227.31 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylphenyl)-4-N-methylpyridine-2,4-diamine is sourced from PubChem (CID 155541155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).