3-methanimidoyl-5-N,5-N-dimethylpyridine-2,5-diamine

C8H12N4 — CID 137372990

IUPAC3-methanimidoyl-5-N,5-N-dimethylpyridine-2,5-diamine
SMILES[H]/N=C/c1cc(N(C)C)cnc1N
InChIInChI=1S/C8H12N4/c1-12(2)7-3-6(4-9)8(10)11-5-7/h3-5,9H,1-2H3,(H2,10,11)/b9-4+
InChIKeyYVESQQYQBXYOPH-RUDMXATFSA-N
MW164.21 g/mol
LogP0.73
Rot. Bonds2

About 3-methanimidoyl-5-N,5-N-dimethylpyridine-2,5-diamine

3-methanimidoyl-5-N,5-N-dimethylpyridine-2,5-diamine (PubChem CID 137372990) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-methanimidoyl-5-N,5-N-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name3-methanimidoyl-5-N,5-N-dimethylpyridine-2,5-diamine
PubChem CID137372990
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name3-methanimidoyl-5-N,5-N-dimethylpyridine-2,5-diamine
SMILES[H]/N=C/c1cc(N(C)C)cnc1N
InChIInChI=1S/C8H12N4/c1-12(2)7-3-6(4-9)8(10)11-5-7/h3-5,9H,1-2H3,(H2,10,11)/b9-4+
InChIKeyYVESQQYQBXYOPH-RUDMXATFSA-N
XLogP0.73
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methanimidoyl-5-N,5-N-dimethylpyridine-2,5-diamine?
The IUPAC name of 3-methanimidoyl-5-N,5-N-dimethylpyridine-2,5-diamine (CID 137372990) is 3-methanimidoyl-5-N,5-N-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 3-methanimidoyl-5-N,5-N-dimethylpyridine-2,5-diamine?
The canonical SMILES for 3-methanimidoyl-5-N,5-N-dimethylpyridine-2,5-diamine is [H]/N=C/c1cc(N(C)C)cnc1N.
What is the InChIKey of 3-methanimidoyl-5-N,5-N-dimethylpyridine-2,5-diamine?
The InChIKey is YVESQQYQBXYOPH-RUDMXATFSA-N. The full InChI is InChI=1S/C8H12N4/c1-12(2)7-3-6(4-9)8(10)11-5-7/h3-5,9H,1-2H3,(H2,10,11)/b9-4+.
What are the key properties of 3-methanimidoyl-5-N,5-N-dimethylpyridine-2,5-diamine?
3-methanimidoyl-5-N,5-N-dimethylpyridine-2,5-diamine has a molecular weight of 164.21 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methanimidoyl-5-N,5-N-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 137372990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).