1-(3,5-dimethylphenyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]guanidine;hydroiodide

C18H25IN4O — CID 111087460

IUPAC1-(3,5-dimethylphenyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]guanidine;hydroiodide
SMILESCOc1c(C)cnc(C/N=C(\N)Nc2cc(C)cc(C)c2)c1C.I
InChIInChI=1S/C18H24N4O.HI/c1-11-6-12(2)8-15(7-11)22-18(19)21-10-16-14(4)17(23-5)13(3)9-20-16;/h6-9H,10H2,1-5H3,(H3,19,21,22);1H
InChIKeyFRLKTGJPODMSTR-UHFFFAOYSA-N
MW440.33 g/mol
LogP3.87
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]guanidine;hydroiodide

1-(3,5-dimethylphenyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]guanidine;hydroiodide (PubChem CID 111087460) has the molecular formula C18H25IN4O and a molecular weight of 440.33 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]guanidine;hydroiodide
PubChem CID111087460
Molecular FormulaC18H25IN4O
Molecular Weight440.33 g/mol
Exact Mass440.11
IUPAC Name1-(3,5-dimethylphenyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]guanidine;hydroiodide
SMILESCOc1c(C)cnc(C/N=C(\N)Nc2cc(C)cc(C)c2)c1C.I
InChIInChI=1S/C18H24N4O.HI/c1-11-6-12(2)8-15(7-11)22-18(19)21-10-16-14(4)17(23-5)13(3)9-20-16;/h6-9H,10H2,1-5H3,(H3,19,21,22);1H
InChIKeyFRLKTGJPODMSTR-UHFFFAOYSA-N
XLogP3.87
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.33
LogP ≤ 53.87
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-phenylguanidine;hydroiodide
CID 110917067
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-propylguanidine;hydroiodide
CID 111087456
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine
CID 111087443
1-(3,5-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)methyl]guanidine;hydroiodide
CID 111095707
2-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]guanidine
CID 111087513
2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 111068560
2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylphenyl)guanidine
CID 111098917
1-(3,5-dimethylphenyl)-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111813357
1-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-propylguanidine
CID 111225861
2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 119147413
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(3,5-dimethylphenyl)guanidine
CID 111814036
2-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 111022755

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]guanidine;hydroiodide (CID 111087460) is 1-(3,5-dimethylphenyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]guanidine;hydroiodide is COc1c(C)cnc(C/N=C(\N)Nc2cc(C)cc(C)c2)c1C.I.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]guanidine;hydroiodide?
The InChIKey is FRLKTGJPODMSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.HI/c1-11-6-12(2)8-15(7-11)22-18(19)21-10-16-14(4)17(23-5)13(3)9-20-16;/h6-9H,10H2,1-5H3,(H3,19,21,22);1H.
What are the key properties of 1-(3,5-dimethylphenyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]guanidine;hydroiodide?
1-(3,5-dimethylphenyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]guanidine;hydroiodide has a molecular weight of 440.33 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111087460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).