2,4-Diaminopyridine

C5H7N3 — CID 68036

IUPACpyridine-2,4-diamine
SMILESC1=CN=C(C=C1N)N
InChIInChI=1S/C5H7N3/c6-4-1-2-8-5(7)3-4/h1-3H,(H4,6,7,8)
InChIKeyIFFLKGMDBKQMAH-UHFFFAOYSA-N
MW109.13 g/mol
LogP-0.20
Rot. Bonds

About 2,4-Diaminopyridine

2,4-Diaminopyridine (PubChem CID 68036) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is pyridine-2,4-diamine.

Molecular Properties

Compound Name2,4-Diaminopyridine
PubChem CID68036
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Namepyridine-2,4-diamine
SMILESC1=CN=C(C=C1N)N
InChIInChI=1S/C5H7N3/c6-4-1-2-8-5(7)3-4/h1-3H,(H4,6,7,8)
InChIKeyIFFLKGMDBKQMAH-UHFFFAOYSA-N
XLogP-0.20
TPSA64.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity74

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,4-Diaminopyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-Diaminopyridine?
The IUPAC name of 2,4-Diaminopyridine (CID 68036) is pyridine-2,4-diamine.
What is the SMILES notation for 2,4-Diaminopyridine?
The canonical SMILES for 2,4-Diaminopyridine is C1=CN=C(C=C1N)N.
What is the InChIKey of 2,4-Diaminopyridine?
The InChIKey is IFFLKGMDBKQMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3/c6-4-1-2-8-5(7)3-4/h1-3H,(H4,6,7,8).
What are the key properties of 2,4-Diaminopyridine?
2,4-Diaminopyridine has a molecular weight of 109.13 g/mol, XLogP of -0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-Diaminopyridine is sourced from PubChem (CID 68036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).