3-[amino(methyl)amino]-6-chloropyridin-2-amine

C6H9ClN4 — CID 154675949

IUPAC3-[amino(methyl)amino]-6-chloropyridin-2-amine
SMILESCN(N)c1ccc(Cl)nc1N
InChIInChI=1S/C6H9ClN4/c1-11(9)4-2-3-5(7)10-6(4)8/h2-3H,9H2,1H3,(H2,8,10)
InChIKeyAGDQRYQQWIRJGP-UHFFFAOYSA-N
MW172.62 g/mol
LogP0.63
Rot. Bonds1

About 3-[amino(methyl)amino]-6-chloropyridin-2-amine

3-[amino(methyl)amino]-6-chloropyridin-2-amine (PubChem CID 154675949) has the molecular formula C6H9ClN4 and a molecular weight of 172.62 g/mol. Its IUPAC name is 3-[amino(methyl)amino]-6-chloropyridin-2-amine.

Molecular Properties

Compound Name3-[amino(methyl)amino]-6-chloropyridin-2-amine
PubChem CID154675949
Molecular FormulaC6H9ClN4
Molecular Weight172.62 g/mol
Exact Mass172.05
IUPAC Name3-[amino(methyl)amino]-6-chloropyridin-2-amine
SMILESCN(N)c1ccc(Cl)nc1N
InChIInChI=1S/C6H9ClN4/c1-11(9)4-2-3-5(7)10-6(4)8/h2-3H,9H2,1H3,(H2,8,10)
InChIKeyAGDQRYQQWIRJGP-UHFFFAOYSA-N
XLogP0.63
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[amino(methyl)amino]-6-chloropyridin-2-amine?
The IUPAC name of 3-[amino(methyl)amino]-6-chloropyridin-2-amine (CID 154675949) is 3-[amino(methyl)amino]-6-chloropyridin-2-amine.
What is the SMILES notation for 3-[amino(methyl)amino]-6-chloropyridin-2-amine?
The canonical SMILES for 3-[amino(methyl)amino]-6-chloropyridin-2-amine is CN(N)c1ccc(Cl)nc1N.
What is the InChIKey of 3-[amino(methyl)amino]-6-chloropyridin-2-amine?
The InChIKey is AGDQRYQQWIRJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4/c1-11(9)4-2-3-5(7)10-6(4)8/h2-3H,9H2,1H3,(H2,8,10).
What are the key properties of 3-[amino(methyl)amino]-6-chloropyridin-2-amine?
3-[amino(methyl)amino]-6-chloropyridin-2-amine has a molecular weight of 172.62 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(methyl)amino]-6-chloropyridin-2-amine is sourced from PubChem (CID 154675949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).