6-ethylpyridine-2,4-diamine

C7H11N3 — CID 23049385

IUPAC6-ethylpyridine-2,4-diamine
SMILESCCc1cc(N)cc(N)n1
InChIInChI=1S/C7H11N3/c1-2-6-3-5(8)4-7(9)10-6/h3-4H,2H2,1H3,(H4,8,9,10)
InChIKeyOXAXQYCLKLDHPP-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.81
Rot. Bonds1

About 6-ethylpyridine-2,4-diamine

6-ethylpyridine-2,4-diamine (PubChem CID 23049385) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 6-ethylpyridine-2,4-diamine.

Molecular Properties

Compound Name6-ethylpyridine-2,4-diamine
PubChem CID23049385
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name6-ethylpyridine-2,4-diamine
SMILESCCc1cc(N)cc(N)n1
InChIInChI=1S/C7H11N3/c1-2-6-3-5(8)4-7(9)10-6/h3-4H,2H2,1H3,(H4,8,9,10)
InChIKeyOXAXQYCLKLDHPP-UHFFFAOYSA-N
XLogP0.81
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethylpyridine-2,4-diamine?
The IUPAC name of 6-ethylpyridine-2,4-diamine (CID 23049385) is 6-ethylpyridine-2,4-diamine.
What is the SMILES notation for 6-ethylpyridine-2,4-diamine?
The canonical SMILES for 6-ethylpyridine-2,4-diamine is CCc1cc(N)cc(N)n1.
What is the InChIKey of 6-ethylpyridine-2,4-diamine?
The InChIKey is OXAXQYCLKLDHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-6-3-5(8)4-7(9)10-6/h3-4H,2H2,1H3,(H4,8,9,10).
What are the key properties of 6-ethylpyridine-2,4-diamine?
6-ethylpyridine-2,4-diamine has a molecular weight of 137.19 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylpyridine-2,4-diamine is sourced from PubChem (CID 23049385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).