2-[(6-methyl-2-pyridinyl)methyl]guanidine

C8H12N4 — CID 62360074

IUPAC2-[(6-methyl-2-pyridinyl)methyl]guanidine
SMILESCc1cccc(CN=C(N)N)n1
InChIInChI=1S/C8H12N4/c1-6-3-2-4-7(12-6)5-11-8(9)10/h2-4H,5H2,1H3,(H4,9,10,11)
InChIKeyWTJGYPIGZNPHBH-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.16
Rot. Bonds2

About 2-[(6-methyl-2-pyridinyl)methyl]guanidine

2-[(6-methyl-2-pyridinyl)methyl]guanidine (PubChem CID 62360074) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridinyl)methyl]guanidine
PubChem CID62360074
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name2-[(6-methyl-2-pyridinyl)methyl]guanidine
SMILESCc1cccc(CN=C(N)N)n1
InChIInChI=1S/C8H12N4/c1-6-3-2-4-7(12-6)5-11-8(9)10/h2-4H,5H2,1H3,(H4,9,10,11)
InChIKeyWTJGYPIGZNPHBH-UHFFFAOYSA-N
XLogP0.16
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methyl-N'-[(6-methyl-2-pyridinyl)methyl]propanimidamide
CID 63175746
N'-[(6-methyl-2-pyridinyl)methyl]cyclopropanecarboximidamide
CID 63175747
N'-[(6-methyl-2-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111062706
2-[(6-methyl-2-pyridinyl)methyl]-1-octylguanidine;hydroiodide
CID 111062653
ethane;(6-methyl-2-pyridinyl)methanol
CID 123372592
(6-methyl-2-pyridinyl)methanol;hydrochloride
CID 18413908
1-(3-chloro-4-methoxyphenyl)-2-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111062712
3-[(6-methyl-2-pyridinyl)methylamino]propanamide
CID 62323562
2,6-dimethylpyridine;sulfane
CID 134564621
2,6-dimethylpyridine;ethane
CID 54453947
1-ethyl-3-hexyl-2-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111162120
N'-hydroxy-2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]ethanimidamide
CID 79267709

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridinyl)methyl]guanidine?
The IUPAC name of 2-[(6-methyl-2-pyridinyl)methyl]guanidine (CID 62360074) is 2-[(6-methyl-2-pyridinyl)methyl]guanidine.
What is the SMILES notation for 2-[(6-methyl-2-pyridinyl)methyl]guanidine?
The canonical SMILES for 2-[(6-methyl-2-pyridinyl)methyl]guanidine is Cc1cccc(CN=C(N)N)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridinyl)methyl]guanidine?
The InChIKey is WTJGYPIGZNPHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-6-3-2-4-7(12-6)5-11-8(9)10/h2-4H,5H2,1H3,(H4,9,10,11).
What are the key properties of 2-[(6-methyl-2-pyridinyl)methyl]guanidine?
2-[(6-methyl-2-pyridinyl)methyl]guanidine has a molecular weight of 164.21 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-pyridinyl)methyl]guanidine is sourced from PubChem (CID 62360074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).