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

C14H17N3 — CID 70397707

IUPAC3-N-(2,4-dimethylphenyl)-4-methylpyridine-2,3-diamine
SMILESCc1ccc(Nc2c(C)ccnc2N)c(C)c1
InChIInChI=1S/C14H17N3/c1-9-4-5-12(11(3)8-9)17-13-10(2)6-7-16-14(13)15/h4-8,17H,1-3H3,(H2,15,16)
InChIKeyDTNKPLCERVPVQP-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.33
Rot. Bonds2

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

3-N-(2,4-dimethylphenyl)-4-methylpyridine-2,3-diamine (PubChem CID 70397707) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-N-(2,4-dimethylphenyl)-4-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(2,4-dimethylphenyl)-4-methylpyridine-2,3-diamine
PubChem CID70397707
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name3-N-(2,4-dimethylphenyl)-4-methylpyridine-2,3-diamine
SMILESCc1ccc(Nc2c(C)ccnc2N)c(C)c1
InChIInChI=1S/C14H17N3/c1-9-4-5-12(11(3)8-9)17-13-10(2)6-7-16-14(13)15/h4-8,17H,1-3H3,(H2,15,16)
InChIKeyDTNKPLCERVPVQP-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2,4-dimethylphenyl)-4-methylpyridine-2,3-diamine?
The IUPAC name of 3-N-(2,4-dimethylphenyl)-4-methylpyridine-2,3-diamine (CID 70397707) is 3-N-(2,4-dimethylphenyl)-4-methylpyridine-2,3-diamine.
What is the SMILES notation for 3-N-(2,4-dimethylphenyl)-4-methylpyridine-2,3-diamine?
The canonical SMILES for 3-N-(2,4-dimethylphenyl)-4-methylpyridine-2,3-diamine is Cc1ccc(Nc2c(C)ccnc2N)c(C)c1.
What is the InChIKey of 3-N-(2,4-dimethylphenyl)-4-methylpyridine-2,3-diamine?
The InChIKey is DTNKPLCERVPVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-9-4-5-12(11(3)8-9)17-13-10(2)6-7-16-14(13)15/h4-8,17H,1-3H3,(H2,15,16).
What are the key properties of 3-N-(2,4-dimethylphenyl)-4-methylpyridine-2,3-diamine?
3-N-(2,4-dimethylphenyl)-4-methylpyridine-2,3-diamine has a molecular weight of 227.31 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,4-dimethylphenyl)-4-methylpyridine-2,3-diamine is sourced from PubChem (CID 70397707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).