2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-fluorophenyl)-2-pyridinyl]guanidine

C21H21FN4O2 — CID 67532325

IUPAC2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-fluorophenyl)-2-pyridinyl]guanidine
SMILESCOc1cccc(OC)c1C/N=C(\N)Nc1ccc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C21H21FN4O2/c1-27-18-4-3-5-19(28-2)17(18)13-25-21(23)26-20-11-8-15(12-24-20)14-6-9-16(22)10-7-14/h3-12H,13H2,1-2H3,(H3,23,24,25,26)
InChIKeyFCXNPVQRUNRZPH-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.83
Rot. Bonds6

About 2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-fluorophenyl)-2-pyridinyl]guanidine

2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-fluorophenyl)-2-pyridinyl]guanidine (PubChem CID 67532325) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-fluorophenyl)-2-pyridinyl]guanidine.

Molecular Properties

Compound Name2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-fluorophenyl)-2-pyridinyl]guanidine
PubChem CID67532325
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-fluorophenyl)-2-pyridinyl]guanidine
SMILESCOc1cccc(OC)c1C/N=C(\N)Nc1ccc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C21H21FN4O2/c1-27-18-4-3-5-19(28-2)17(18)13-25-21(23)26-20-11-8-15(12-24-20)14-6-9-16(22)10-7-14/h3-12H,13H2,1-2H3,(H3,23,24,25,26)
InChIKeyFCXNPVQRUNRZPH-UHFFFAOYSA-N
XLogP3.83
TPSA81.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.83
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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Related Compounds

2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]guanidine
CID 67386782
2-[(2,6-dimethoxyphenyl)methyl]-1-[4-(6-fluoroquinolin-4-yl)-1,3-thiazol-2-yl]guanidine
CID 67386854
1-isoquinolin-3-yl-2-[(2-methoxyphenyl)methyl]guanidine
CID 67531748
1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-[(2,6-dimethoxyphenyl)methyl]guanidine
CID 87380445
2-[(2,6-dimethoxyphenyl)methyl]-1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)guanidine;hydrobromide
CID 67386436
2-[(2,6-dimethoxyphenyl)methyl]-1-(4-propan-2-yl-1,3-thiazol-2-yl)guanidine
CID 67387075
1-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-[(2,6-dimethoxyphenyl)methyl]guanidine
CID 87381012
2-[(2-chloro-6-methoxyphenyl)methyl]-1-(3-methyl-2-pyridinyl)guanidine
CID 67532074
2-[(2-methoxyphenyl)methyl]-1-(6-phenyl-2-pyridinyl)guanidine
CID 67532251
2-[(2,6-dimethoxyphenyl)methyl]-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)guanidine;hydrobromide
CID 67386826
2-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)guanidine
CID 111025676
1-[4-(3-chloro-2-pyridinyl)-1,3-thiazol-2-yl]-2-[(2,6-dimethoxyphenyl)methyl]guanidine
CID 87380543

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-fluorophenyl)-2-pyridinyl]guanidine?
The IUPAC name of 2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-fluorophenyl)-2-pyridinyl]guanidine (CID 67532325) is 2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-fluorophenyl)-2-pyridinyl]guanidine.
What is the SMILES notation for 2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-fluorophenyl)-2-pyridinyl]guanidine?
The canonical SMILES for 2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-fluorophenyl)-2-pyridinyl]guanidine is COc1cccc(OC)c1C/N=C(\N)Nc1ccc(-c2ccc(F)cc2)cn1.
What is the InChIKey of 2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-fluorophenyl)-2-pyridinyl]guanidine?
The InChIKey is FCXNPVQRUNRZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-27-18-4-3-5-19(28-2)17(18)13-25-21(23)26-20-11-8-15(12-24-20)14-6-9-16(22)10-7-14/h3-12H,13H2,1-2H3,(H3,23,24,25,26).
What are the key properties of 2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-fluorophenyl)-2-pyridinyl]guanidine?
2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-fluorophenyl)-2-pyridinyl]guanidine has a molecular weight of 380.42 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-fluorophenyl)-2-pyridinyl]guanidine is sourced from PubChem (CID 67532325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).