2-N-methyl-6-N-(1-methylazetidin-3-yl)pyridine-2,6-diamine

C10H16N4 — CID 131043180

IUPAC2-N-methyl-6-N-(1-methylazetidin-3-yl)pyridine-2,6-diamine
SMILESCNc1cccc(NC2CN(C)C2)n1
InChIInChI=1S/C10H16N4/c1-11-9-4-3-5-10(13-9)12-8-6-14(2)7-8/h3-5,8H,6-7H2,1-2H3,(H2,11,12,13)
InChIKeyKORPDIJHFQHKCE-UHFFFAOYSA-N
MW192.27 g/mol
LogP0.85
Rot. Bonds3

About 2-N-methyl-6-N-(1-methylazetidin-3-yl)pyridine-2,6-diamine

2-N-methyl-6-N-(1-methylazetidin-3-yl)pyridine-2,6-diamine (PubChem CID 131043180) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 2-N-methyl-6-N-(1-methylazetidin-3-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-6-N-(1-methylazetidin-3-yl)pyridine-2,6-diamine
PubChem CID131043180
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name2-N-methyl-6-N-(1-methylazetidin-3-yl)pyridine-2,6-diamine
SMILESCNc1cccc(NC2CN(C)C2)n1
InChIInChI=1S/C10H16N4/c1-11-9-4-3-5-10(13-9)12-8-6-14(2)7-8/h3-5,8H,6-7H2,1-2H3,(H2,11,12,13)
InChIKeyKORPDIJHFQHKCE-UHFFFAOYSA-N
XLogP0.85
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-N-(1-methylazetidin-3-yl)pyridine-2,6-diamine?
The IUPAC name of 2-N-methyl-6-N-(1-methylazetidin-3-yl)pyridine-2,6-diamine (CID 131043180) is 2-N-methyl-6-N-(1-methylazetidin-3-yl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-6-N-(1-methylazetidin-3-yl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-methyl-6-N-(1-methylazetidin-3-yl)pyridine-2,6-diamine is CNc1cccc(NC2CN(C)C2)n1.
What is the InChIKey of 2-N-methyl-6-N-(1-methylazetidin-3-yl)pyridine-2,6-diamine?
The InChIKey is KORPDIJHFQHKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-11-9-4-3-5-10(13-9)12-8-6-14(2)7-8/h3-5,8H,6-7H2,1-2H3,(H2,11,12,13).
What are the key properties of 2-N-methyl-6-N-(1-methylazetidin-3-yl)pyridine-2,6-diamine?
2-N-methyl-6-N-(1-methylazetidin-3-yl)pyridine-2,6-diamine has a molecular weight of 192.27 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-N-(1-methylazetidin-3-yl)pyridine-2,6-diamine is sourced from PubChem (CID 131043180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).