4,6-dimethyl-2-(2-methylpropoxy)pyridine-3-carboximidamide

C12H19N3O — CID 61177313

IUPAC4,6-dimethyl-2-(2-methylpropoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1OCC(C)C
InChIInChI=1S/C12H19N3O/c1-7(2)6-16-12-10(11(13)14)8(3)5-9(4)15-12/h5,7H,6H2,1-4H3,(H3,13,14)
InChIKeyUVKPXSMQFUQBKY-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.02
Rot. Bonds4

About 4,6-dimethyl-2-(2-methylpropoxy)pyridine-3-carboximidamide

4,6-dimethyl-2-(2-methylpropoxy)pyridine-3-carboximidamide (PubChem CID 61177313) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4,6-dimethyl-2-(2-methylpropoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound Name4,6-dimethyl-2-(2-methylpropoxy)pyridine-3-carboximidamide
PubChem CID61177313
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4,6-dimethyl-2-(2-methylpropoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1OCC(C)C
InChIInChI=1S/C12H19N3O/c1-7(2)6-16-12-10(11(13)14)8(3)5-9(4)15-12/h5,7H,6H2,1-4H3,(H3,13,14)
InChIKeyUVKPXSMQFUQBKY-UHFFFAOYSA-N
XLogP2.02
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyethoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61177118
2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 104562382
4,6-dimethyl-2-(2-phenoxyethoxy)pyridine-3-carboximidamide
CID 61175204
2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61176359
2-(2-cyclobutylethoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 106202063
4,6-dimethyl-2-octan-2-yloxypyridine-3-carboximidamide
CID 61176731
2-[(2-bromophenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 82824229
2-(4-chloro-2,6-dimethylphenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175403
2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61229142
4,6-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pyridine-3-carbothioamide
CID 106447664
2-(2,5-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 63269866
2-(2,4-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175206

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(2-methylpropoxy)pyridine-3-carboximidamide?
The IUPAC name of 4,6-dimethyl-2-(2-methylpropoxy)pyridine-3-carboximidamide (CID 61177313) is 4,6-dimethyl-2-(2-methylpropoxy)pyridine-3-carboximidamide.
What is the SMILES notation for 4,6-dimethyl-2-(2-methylpropoxy)pyridine-3-carboximidamide?
The canonical SMILES for 4,6-dimethyl-2-(2-methylpropoxy)pyridine-3-carboximidamide is [H]/N=C(\N)c1c(C)cc(C)nc1OCC(C)C.
What is the InChIKey of 4,6-dimethyl-2-(2-methylpropoxy)pyridine-3-carboximidamide?
The InChIKey is UVKPXSMQFUQBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-7(2)6-16-12-10(11(13)14)8(3)5-9(4)15-12/h5,7H,6H2,1-4H3,(H3,13,14).
What are the key properties of 4,6-dimethyl-2-(2-methylpropoxy)pyridine-3-carboximidamide?
4,6-dimethyl-2-(2-methylpropoxy)pyridine-3-carboximidamide has a molecular weight of 221.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(2-methylpropoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 61177313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).