2-(2-methoxyethylamino)-4,6-dimethylpyridine-3-carboximidamide

C11H18N4O — CID 62543498

IUPAC2-(2-methoxyethylamino)-4,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1NCCOC
InChIInChI=1S/C11H18N4O/c1-7-6-8(2)15-11(9(7)10(12)13)14-4-5-16-3/h6H,4-5H2,1-3H3,(H3,12,13)(H,14,15)
InChIKeyWSSPKCXKYBYBDG-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.04
Rot. Bonds5

About 2-(2-methoxyethylamino)-4,6-dimethylpyridine-3-carboximidamide

2-(2-methoxyethylamino)-4,6-dimethylpyridine-3-carboximidamide (PubChem CID 62543498) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-4,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-4,6-dimethylpyridine-3-carboximidamide
PubChem CID62543498
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-(2-methoxyethylamino)-4,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1NCCOC
InChIInChI=1S/C11H18N4O/c1-7-6-8(2)15-11(9(7)10(12)13)14-4-5-16-3/h6H,4-5H2,1-3H3,(H3,12,13)(H,14,15)
InChIKeyWSSPKCXKYBYBDG-UHFFFAOYSA-N
XLogP1.04
TPSA84.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-4,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 2-(2-methoxyethylamino)-4,6-dimethylpyridine-3-carboximidamide (CID 62543498) is 2-(2-methoxyethylamino)-4,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-4,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 2-(2-methoxyethylamino)-4,6-dimethylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(C)cc(C)nc1NCCOC.
What is the InChIKey of 2-(2-methoxyethylamino)-4,6-dimethylpyridine-3-carboximidamide?
The InChIKey is WSSPKCXKYBYBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7-6-8(2)15-11(9(7)10(12)13)14-4-5-16-3/h6H,4-5H2,1-3H3,(H3,12,13)(H,14,15).
What are the key properties of 2-(2-methoxyethylamino)-4,6-dimethylpyridine-3-carboximidamide?
2-(2-methoxyethylamino)-4,6-dimethylpyridine-3-carboximidamide has a molecular weight of 222.29 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-4,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 62543498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).