1-[(6-methoxy-2-pyridinyl)methyl]-2,3-dimethylguanidine

C10H16N4O — CID 110916980

IUPAC1-[(6-methoxy-2-pyridinyl)methyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCc1cccc(OC)n1
InChIInChI=1S/C10H16N4O/c1-11-10(12-2)13-7-8-5-4-6-9(14-8)15-3/h4-6H,7H2,1-3H3,(H2,11,12,13)
InChIKeyQSXMBQGINLNFAS-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.38
Rot. Bonds3

About 1-[(6-methoxy-2-pyridinyl)methyl]-2,3-dimethylguanidine

1-[(6-methoxy-2-pyridinyl)methyl]-2,3-dimethylguanidine (PubChem CID 110916980) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[(6-methoxy-2-pyridinyl)methyl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[(6-methoxy-2-pyridinyl)methyl]-2,3-dimethylguanidine
PubChem CID110916980
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-[(6-methoxy-2-pyridinyl)methyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCc1cccc(OC)n1
InChIInChI=1S/C10H16N4O/c1-11-10(12-2)13-7-8-5-4-6-9(14-8)15-3/h4-6H,7H2,1-3H3,(H2,11,12,13)
InChIKeyQSXMBQGINLNFAS-UHFFFAOYSA-N
XLogP0.38
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.38
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

1-tert-butyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine
CID 110965149
1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111227678
1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111360710
1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111232770
1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111345994
1-hexyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine
CID 111162173
1-(3-butoxypropyl)-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine
CID 111240247
1-[2-(4-chlorophenyl)ethyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111197035
1-(3-butoxypropyl)-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111240246
1-[2-(2-methoxyphenyl)ethyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111340690
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111534050
1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(4-methylphenyl)propyl]guanidine;hydroiodide
CID 111621969

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-2-pyridinyl)methyl]-2,3-dimethylguanidine?
The IUPAC name of 1-[(6-methoxy-2-pyridinyl)methyl]-2,3-dimethylguanidine (CID 110916980) is 1-[(6-methoxy-2-pyridinyl)methyl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[(6-methoxy-2-pyridinyl)methyl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[(6-methoxy-2-pyridinyl)methyl]-2,3-dimethylguanidine is C/N=C(\NC)NCc1cccc(OC)n1.
What is the InChIKey of 1-[(6-methoxy-2-pyridinyl)methyl]-2,3-dimethylguanidine?
The InChIKey is QSXMBQGINLNFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-11-10(12-2)13-7-8-5-4-6-9(14-8)15-3/h4-6H,7H2,1-3H3,(H2,11,12,13).
What are the key properties of 1-[(6-methoxy-2-pyridinyl)methyl]-2,3-dimethylguanidine?
1-[(6-methoxy-2-pyridinyl)methyl]-2,3-dimethylguanidine has a molecular weight of 208.26 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-2-pyridinyl)methyl]-2,3-dimethylguanidine is sourced from PubChem (CID 110916980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).