2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboximidamide

C12H18N4O — CID 81054109

IUPAC2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N2CCOCC2)cc(C)nc1C
InChIInChI=1S/C12H18N4O/c1-8-7-10(16-3-5-17-6-4-16)11(12(13)14)9(2)15-8/h7H,3-6H2,1-2H3,(H3,13,14)
InChIKeyIQXSTANAOXPOAQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.82
Rot. Bonds2

About 2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboximidamide

2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboximidamide (PubChem CID 81054109) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboximidamide
PubChem CID81054109
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N2CCOCC2)cc(C)nc1C
InChIInChI=1S/C12H18N4O/c1-8-7-10(16-3-5-17-6-4-16)11(12(13)14)9(2)15-8/h7H,3-6H2,1-2H3,(H3,13,14)
InChIKeyIQXSTANAOXPOAQ-UHFFFAOYSA-N
XLogP0.82
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.82
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboximidamide?
The IUPAC name of 2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboximidamide (CID 81054109) is 2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboximidamide.
What is the SMILES notation for 2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboximidamide?
The canonical SMILES for 2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(N2CCOCC2)cc(C)nc1C.
What is the InChIKey of 2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboximidamide?
The InChIKey is IQXSTANAOXPOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-7-10(16-3-5-17-6-4-16)11(12(13)14)9(2)15-8/h7H,3-6H2,1-2H3,(H3,13,14).
What are the key properties of 2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboximidamide?
2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboximidamide has a molecular weight of 234.30 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboximidamide is sourced from PubChem (CID 81054109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).