1-(2,5-dimethoxyphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine

C16H20N4O3 — CID 111087818

IUPAC1-(2,5-dimethoxyphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine
SMILESCOc1ccc(OC)c(N/C(N)=N/Cc2cccc(OC)n2)c1
InChIInChI=1S/C16H20N4O3/c1-21-12-7-8-14(22-2)13(9-12)20-16(17)18-10-11-5-4-6-15(19-11)23-3/h4-9H,10H2,1-3H3,(H3,17,18,20)
InChIKeyYELYJJMGJYIPGO-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.03
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine

1-(2,5-dimethoxyphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine (PubChem CID 111087818) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine
PubChem CID111087818
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name1-(2,5-dimethoxyphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine
SMILESCOc1ccc(OC)c(N/C(N)=N/Cc2cccc(OC)n2)c1
InChIInChI=1S/C16H20N4O3/c1-21-12-7-8-14(22-2)13(9-12)20-16(17)18-10-11-5-4-6-15(19-11)23-3/h4-9H,10H2,1-3H3,(H3,17,18,20)
InChIKeyYELYJJMGJYIPGO-UHFFFAOYSA-N
XLogP2.03
TPSA90.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2,5-dimethoxyphenyl)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide
CID 119119949
1-(2,5-dimethoxyphenyl)-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 119120385
1-(2,5-dimethoxyphenyl)-2-[[4-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053856
N-[3-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]phenyl]acetamide
CID 111044906
1-(2,5-dimethoxyphenyl)-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111090689
1-(2,5-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine
CID 119121281
1-(2,5-dimethoxyphenyl)-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 111815265
2-[(2,5-difluorophenyl)methyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111801010
1-(2,5-dimethoxyphenyl)-2-prop-2-enylguanidine
CID 111023982
2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111036308
1-cyclopropyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine
CID 110916988
1-(2,5-dimethoxyphenyl)-2-(2-naphthalen-2-ylethyl)guanidine
CID 111069802

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine (CID 111087818) is 1-(2,5-dimethoxyphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine is COc1ccc(OC)c(N/C(N)=N/Cc2cccc(OC)n2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine?
The InChIKey is YELYJJMGJYIPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-21-12-7-8-14(22-2)13(9-12)20-16(17)18-10-11-5-4-6-15(19-11)23-3/h4-9H,10H2,1-3H3,(H3,17,18,20).
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine?
1-(2,5-dimethoxyphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine has a molecular weight of 316.36 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111087818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).