6-N-methylpyridine-2,6-diamine

C6H9N3 — CID 55281082

IUPAC6-N-methylpyridine-2,6-diamine
SMILESCNc1cccc(N)n1
InChIInChI=1S/C6H9N3/c1-8-6-4-2-3-5(7)9-6/h2-4H,1H3,(H3,7,8,9)
InChIKeyGEBXBSQVHUADFD-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.71
Rot. Bonds1

About 6-N-methylpyridine-2,6-diamine

6-N-methylpyridine-2,6-diamine (PubChem CID 55281082) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 6-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-methylpyridine-2,6-diamine
PubChem CID55281082
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name6-N-methylpyridine-2,6-diamine
SMILESCNc1cccc(N)n1
InChIInChI=1S/C6H9N3/c1-8-6-4-2-3-5(7)9-6/h2-4H,1H3,(H3,7,8,9)
InChIKeyGEBXBSQVHUADFD-UHFFFAOYSA-N
XLogP0.71
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-N-methylpyridine-2,6-diamine?
The IUPAC name of 6-N-methylpyridine-2,6-diamine (CID 55281082) is 6-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-methylpyridine-2,6-diamine?
The canonical SMILES for 6-N-methylpyridine-2,6-diamine is CNc1cccc(N)n1.
What is the InChIKey of 6-N-methylpyridine-2,6-diamine?
The InChIKey is GEBXBSQVHUADFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-8-6-4-2-3-5(7)9-6/h2-4H,1H3,(H3,7,8,9).
What are the key properties of 6-N-methylpyridine-2,6-diamine?
6-N-methylpyridine-2,6-diamine has a molecular weight of 123.16 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 55281082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).