2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide

C15H17N3O2 — CID 61229142

IUPAC2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1Oc1ccc(CO)cc1
InChIInChI=1S/C15H17N3O2/c1-9-7-10(2)18-15(13(9)14(16)17)20-12-5-3-11(8-19)4-6-12/h3-7,19H,8H2,1-2H3,(H3,16,17)
InChIKeyWYSFIYKWJMLPFN-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.27
Rot. Bonds4

About 2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide

2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide (PubChem CID 61229142) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide
PubChem CID61229142
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1Oc1ccc(CO)cc1
InChIInChI=1S/C15H17N3O2/c1-9-7-10(2)18-15(13(9)14(16)17)20-12-5-3-11(8-19)4-6-12/h3-7,19H,8H2,1-2H3,(H3,16,17)
InChIKeyWYSFIYKWJMLPFN-UHFFFAOYSA-N
XLogP2.27
TPSA92.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61228172
2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61176359
2-[4-(2-hydroxyethyl)phenoxy]-4,6-dimethylpyridine-3-carbothioamide
CID 107708866
2-(2-bromo-4-chlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61176543
2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 81332133
2-(4-ethylphenoxy)-4,6-dimethylpyridine-3-carbothioamide
CID 61176908
2-(4-chloro-2,6-dimethylphenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175403
2-(2,4-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175206
4,6-dimethyl-2-(2-phenoxyethoxy)pyridine-3-carboximidamide
CID 61175204
2-(2,5-dichlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175597
2-(2,5-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 63269866
4,6-dimethyl-2-(2-methylpropoxy)pyridine-3-carboximidamide
CID 61177313

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide (CID 61229142) is 2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(C)cc(C)nc1Oc1ccc(CO)cc1.
What is the InChIKey of 2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide?
The InChIKey is WYSFIYKWJMLPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-7-10(2)18-15(13(9)14(16)17)20-12-5-3-11(8-19)4-6-12/h3-7,19H,8H2,1-2H3,(H3,16,17).
What are the key properties of 2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide?
2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide has a molecular weight of 271.32 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 61229142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).