1-(4,6-dimethyl-2-pyridinyl)-2-(2-phenylethyl)guanidine

C16H20N4 — CID 3013230

IUPAC1-(4,6-dimethyl-2-pyridinyl)-2-(2-phenylethyl)guanidine
SMILESCc1cc(C)nc(N/C(N)=N/CCc2ccccc2)c1
InChIInChI=1S/C16H20N4/c1-12-10-13(2)19-15(11-12)20-16(17)18-9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3,(H3,17,18,19,20)
InChIKeyBTEULRKVWLCTIO-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.67
Rot. Bonds4

About 1-(4,6-dimethyl-2-pyridinyl)-2-(2-phenylethyl)guanidine

1-(4,6-dimethyl-2-pyridinyl)-2-(2-phenylethyl)guanidine (PubChem CID 3013230) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-pyridinyl)-2-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-pyridinyl)-2-(2-phenylethyl)guanidine
PubChem CID3013230
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name1-(4,6-dimethyl-2-pyridinyl)-2-(2-phenylethyl)guanidine
SMILESCc1cc(C)nc(N/C(N)=N/CCc2ccccc2)c1
InChIInChI=1S/C16H20N4/c1-12-10-13(2)19-15(11-12)20-16(17)18-9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3,(H3,17,18,19,20)
InChIKeyBTEULRKVWLCTIO-UHFFFAOYSA-N
XLogP2.67
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.67
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'}

Analyze 1-(4,6-dimethyl-2-pyridinyl)-2-(2-phenylethyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-2-(2-phenylethyl)guanidine?
The IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-2-(2-phenylethyl)guanidine (CID 3013230) is 1-(4,6-dimethyl-2-pyridinyl)-2-(2-phenylethyl)guanidine.
What is the SMILES notation for 1-(4,6-dimethyl-2-pyridinyl)-2-(2-phenylethyl)guanidine?
The canonical SMILES for 1-(4,6-dimethyl-2-pyridinyl)-2-(2-phenylethyl)guanidine is Cc1cc(C)nc(N/C(N)=N/CCc2ccccc2)c1.
What is the InChIKey of 1-(4,6-dimethyl-2-pyridinyl)-2-(2-phenylethyl)guanidine?
The InChIKey is BTEULRKVWLCTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-12-10-13(2)19-15(11-12)20-16(17)18-9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3,(H3,17,18,19,20).
What are the key properties of 1-(4,6-dimethyl-2-pyridinyl)-2-(2-phenylethyl)guanidine?
1-(4,6-dimethyl-2-pyridinyl)-2-(2-phenylethyl)guanidine has a molecular weight of 268.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-2-pyridinyl)-2-(2-phenylethyl)guanidine is sourced from PubChem (CID 3013230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).