6-chloro-2-N-(1-methylazetidin-3-yl)pyridine-2,4-diamine

C9H13ClN4 — CID 130834085

IUPAC6-chloro-2-N-(1-methylazetidin-3-yl)pyridine-2,4-diamine
SMILESCN1CC(Nc2cc(N)cc(Cl)n2)C1
InChIInChI=1S/C9H13ClN4/c1-14-4-7(5-14)12-9-3-6(11)2-8(10)13-9/h2-3,7H,4-5H2,1H3,(H3,11,12,13)
InChIKeyDIERODOSBOASOW-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.04
Rot. Bonds2

About 6-chloro-2-N-(1-methylazetidin-3-yl)pyridine-2,4-diamine

6-chloro-2-N-(1-methylazetidin-3-yl)pyridine-2,4-diamine (PubChem CID 130834085) has the molecular formula C9H13ClN4 and a molecular weight of 212.68 g/mol. Its IUPAC name is 6-chloro-2-N-(1-methylazetidin-3-yl)pyridine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(1-methylazetidin-3-yl)pyridine-2,4-diamine
PubChem CID130834085
Molecular FormulaC9H13ClN4
Molecular Weight212.68 g/mol
Exact Mass212.08
IUPAC Name6-chloro-2-N-(1-methylazetidin-3-yl)pyridine-2,4-diamine
SMILESCN1CC(Nc2cc(N)cc(Cl)n2)C1
InChIInChI=1S/C9H13ClN4/c1-14-4-7(5-14)12-9-3-6(11)2-8(10)13-9/h2-3,7H,4-5H2,1H3,(H3,11,12,13)
InChIKeyDIERODOSBOASOW-UHFFFAOYSA-N
XLogP1.04
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(1-methylazetidin-3-yl)pyridine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(1-methylazetidin-3-yl)pyridine-2,4-diamine (CID 130834085) is 6-chloro-2-N-(1-methylazetidin-3-yl)pyridine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(1-methylazetidin-3-yl)pyridine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(1-methylazetidin-3-yl)pyridine-2,4-diamine is CN1CC(Nc2cc(N)cc(Cl)n2)C1.
What is the InChIKey of 6-chloro-2-N-(1-methylazetidin-3-yl)pyridine-2,4-diamine?
The InChIKey is DIERODOSBOASOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4/c1-14-4-7(5-14)12-9-3-6(11)2-8(10)13-9/h2-3,7H,4-5H2,1H3,(H3,11,12,13).
What are the key properties of 6-chloro-2-N-(1-methylazetidin-3-yl)pyridine-2,4-diamine?
6-chloro-2-N-(1-methylazetidin-3-yl)pyridine-2,4-diamine has a molecular weight of 212.68 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(1-methylazetidin-3-yl)pyridine-2,4-diamine is sourced from PubChem (CID 130834085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).