2-(4,6-dimethylpyrimidin-2-yl)-1-(2-ethylphenyl)guanidine

C15H19N5 — CID 2886994

IUPAC2-(4,6-dimethylpyrimidin-2-yl)-1-(2-ethylphenyl)guanidine
SMILESCCc1ccccc1NC(N)=Nc1nc(C)cc(C)n1
InChIInChI=1S/C15H19N5/c1-4-12-7-5-6-8-13(12)19-14(16)20-15-17-10(2)9-11(3)18-15/h5-9H,4H2,1-3H3,(H3,16,17,18,19,20)
InChIKeyMNXHLAITEKXHPP-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.71
Rot. Bonds3

About 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-ethylphenyl)guanidine

2-(4,6-dimethylpyrimidin-2-yl)-1-(2-ethylphenyl)guanidine (PubChem CID 2886994) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-ethylphenyl)guanidine.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)-1-(2-ethylphenyl)guanidine
PubChem CID2886994
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)-1-(2-ethylphenyl)guanidine
SMILESCCc1ccccc1NC(N)=Nc1nc(C)cc(C)n1
InChIInChI=1S/C15H19N5/c1-4-12-7-5-6-8-13(12)19-14(16)20-15-17-10(2)9-11(3)18-15/h5-9H,4H2,1-3H3,(H3,16,17,18,19,20)
InChIKeyMNXHLAITEKXHPP-UHFFFAOYSA-N
XLogP2.71
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4,6-dimethylpyrimidin-2-yl)-1-(2-ethylphenyl)guanidine?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-ethylphenyl)guanidine (CID 2886994) is 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-ethylphenyl)guanidine.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-ethylphenyl)guanidine?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-ethylphenyl)guanidine is CCc1ccccc1NC(N)=Nc1nc(C)cc(C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-ethylphenyl)guanidine?
The InChIKey is MNXHLAITEKXHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-4-12-7-5-6-8-13(12)19-14(16)20-15-17-10(2)9-11(3)18-15/h5-9H,4H2,1-3H3,(H3,16,17,18,19,20).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-ethylphenyl)guanidine?
2-(4,6-dimethylpyrimidin-2-yl)-1-(2-ethylphenyl)guanidine has a molecular weight of 269.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-ethylphenyl)guanidine is sourced from PubChem (CID 2886994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).