3-ethanimidoyl-2-N,4-N-dimethylpyridine-2,4-diamine

C9H14N4 — CID 166807042

IUPAC3-ethanimidoyl-2-N,4-N-dimethylpyridine-2,4-diamine
SMILES[H]/N=C(\C)c1c(NC)ccnc1NC
InChIInChI=1S/C9H14N4/c1-6(10)8-7(11-2)4-5-13-9(8)12-3/h4-5,10H,1-3H3,(H2,11,12,13)/b10-6+
InChIKeyOALCWHNHQPMNIB-UXBLZVDNSA-N
MW178.24 g/mol
LogP1.55
Rot. Bonds3

About 3-ethanimidoyl-2-N,4-N-dimethylpyridine-2,4-diamine

3-ethanimidoyl-2-N,4-N-dimethylpyridine-2,4-diamine (PubChem CID 166807042) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-ethanimidoyl-2-N,4-N-dimethylpyridine-2,4-diamine.

Molecular Properties

Compound Name3-ethanimidoyl-2-N,4-N-dimethylpyridine-2,4-diamine
PubChem CID166807042
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name3-ethanimidoyl-2-N,4-N-dimethylpyridine-2,4-diamine
SMILES[H]/N=C(\C)c1c(NC)ccnc1NC
InChIInChI=1S/C9H14N4/c1-6(10)8-7(11-2)4-5-13-9(8)12-3/h4-5,10H,1-3H3,(H2,11,12,13)/b10-6+
InChIKeyOALCWHNHQPMNIB-UXBLZVDNSA-N
XLogP1.55
TPSA60.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.55
H-Bond Donors ≤ 53
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-ethanimidoyl-2-N,4-N-dimethylpyridine-2,4-diamine?
The IUPAC name of 3-ethanimidoyl-2-N,4-N-dimethylpyridine-2,4-diamine (CID 166807042) is 3-ethanimidoyl-2-N,4-N-dimethylpyridine-2,4-diamine.
What is the SMILES notation for 3-ethanimidoyl-2-N,4-N-dimethylpyridine-2,4-diamine?
The canonical SMILES for 3-ethanimidoyl-2-N,4-N-dimethylpyridine-2,4-diamine is [H]/N=C(\C)c1c(NC)ccnc1NC.
What is the InChIKey of 3-ethanimidoyl-2-N,4-N-dimethylpyridine-2,4-diamine?
The InChIKey is OALCWHNHQPMNIB-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H14N4/c1-6(10)8-7(11-2)4-5-13-9(8)12-3/h4-5,10H,1-3H3,(H2,11,12,13)/b10-6+.
What are the key properties of 3-ethanimidoyl-2-N,4-N-dimethylpyridine-2,4-diamine?
3-ethanimidoyl-2-N,4-N-dimethylpyridine-2,4-diamine has a molecular weight of 178.24 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethanimidoyl-2-N,4-N-dimethylpyridine-2,4-diamine is sourced from PubChem (CID 166807042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).