1-methyl-2,4-diaminopyridine

C₆H₁₁N₃ — CID 152784170

About 1-methyl-2,4-diaminopyridine

1-methyl-2,4-diaminopyridine (PubChem CID 152784170) has the molecular formula C₆H₁₁N₃ and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-methyl-2H-pyridine-2,4-diamine.

Molecular Properties

• Compound Name: 1-methyl-2,4-diaminopyridine
• PubChem CID: 152784170
• Molecular Formula: C₆H₁₁N₃
• Molecular Weight: 125.17 g/mol
• Exact Mass: 125.10
• IUPAC Name: 1-methyl-2H-pyridine-2,4-diamine
• SMILES: CN1C=CC(N)=CC1N
• InChI: InChI=1S/C6H11N3/c1-9-3-2-5(7)4-6(9)8/h2-4,6H,7-8H2,1H3
• InChIKey: RUKJKNOSURSIKE-UHFFFAOYSA-N
• XLogP: -0.43
• TPSA: 55.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	125.17
LogP ≤ 5	-0.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,4-diaminopyridine?

The IUPAC name of 1-methyl-2,4-diaminopyridine (CID 152784170) is 1-methyl-2H-pyridine-2,4-diamine.

What is the SMILES notation for 1-methyl-2,4-diaminopyridine?

The canonical SMILES for 1-methyl-2,4-diaminopyridine is CN1C=CC(N)=CC1N.

What is the InChIKey of 1-methyl-2,4-diaminopyridine?

The InChIKey is RUKJKNOSURSIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-9-3-2-5(7)4-6(9)8/h2-4,6H,7-8H2,1H3.

What are the key properties of 1-methyl-2,4-diaminopyridine?

1-methyl-2,4-diaminopyridine has a molecular weight of 125.17 g/mol, XLogP of -0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-2,4-diaminopyridine is sourced from PubChem (CID 152784170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 152784170 — identifiers, structure, computed properties (public domain)

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