2-(2,4-dimethyl-3-pyridinyl)guanidine

C8H12N4 — CID 58476593

IUPAC2-(2,4-dimethyl-3-pyridinyl)guanidine
SMILESCc1ccnc(C)c1N=C(N)N
InChIInChI=1S/C8H12N4/c1-5-3-4-11-6(2)7(5)12-8(9)10/h3-4H,1-2H3,(H4,9,10,12)
InChIKeySTFXQVRTHBEWQW-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.60
Rot. Bonds1

About 2-(2,4-dimethyl-3-pyridinyl)guanidine

2-(2,4-dimethyl-3-pyridinyl)guanidine (PubChem CID 58476593) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-(2,4-dimethyl-3-pyridinyl)guanidine.

Molecular Properties

Compound Name2-(2,4-dimethyl-3-pyridinyl)guanidine
PubChem CID58476593
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name2-(2,4-dimethyl-3-pyridinyl)guanidine
SMILESCc1ccnc(C)c1N=C(N)N
InChIInChI=1S/C8H12N4/c1-5-3-4-11-6(2)7(5)12-8(9)10/h3-4H,1-2H3,(H4,9,10,12)
InChIKeySTFXQVRTHBEWQW-UHFFFAOYSA-N
XLogP0.60
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.60
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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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-3-pyridinyl)guanidine?
The IUPAC name of 2-(2,4-dimethyl-3-pyridinyl)guanidine (CID 58476593) is 2-(2,4-dimethyl-3-pyridinyl)guanidine.
What is the SMILES notation for 2-(2,4-dimethyl-3-pyridinyl)guanidine?
The canonical SMILES for 2-(2,4-dimethyl-3-pyridinyl)guanidine is Cc1ccnc(C)c1N=C(N)N.
What is the InChIKey of 2-(2,4-dimethyl-3-pyridinyl)guanidine?
The InChIKey is STFXQVRTHBEWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-5-3-4-11-6(2)7(5)12-8(9)10/h3-4H,1-2H3,(H4,9,10,12).
What are the key properties of 2-(2,4-dimethyl-3-pyridinyl)guanidine?
2-(2,4-dimethyl-3-pyridinyl)guanidine has a molecular weight of 164.21 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-3-pyridinyl)guanidine is sourced from PubChem (CID 58476593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).