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

C13H21N5 — CID 579759

IUPAC2-cyclohexyl-1-(4,6-dimethylpyrimidin-2-yl)guanidine
SMILESCc1cc(C)nc(N/C(N)=N/C2CCCCC2)n1
InChIInChI=1S/C13H21N5/c1-9-8-10(2)16-13(15-9)18-12(14)17-11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyOFJULBSMJCEMCG-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.15
Rot. Bonds2

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

2-cyclohexyl-1-(4,6-dimethylpyrimidin-2-yl)guanidine (PubChem CID 579759) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 2-cyclohexyl-1-(4,6-dimethylpyrimidin-2-yl)guanidine.

Molecular Properties

Compound Name2-cyclohexyl-1-(4,6-dimethylpyrimidin-2-yl)guanidine
PubChem CID579759
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name2-cyclohexyl-1-(4,6-dimethylpyrimidin-2-yl)guanidine
SMILESCc1cc(C)nc(N/C(N)=N/C2CCCCC2)n1
InChIInChI=1S/C13H21N5/c1-9-8-10(2)16-13(15-9)18-12(14)17-11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyOFJULBSMJCEMCG-UHFFFAOYSA-N
XLogP2.15
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.15
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-cyclohexyl-1-(4,6-dimethylpyrimidin-2-yl)guanidine?
The IUPAC name of 2-cyclohexyl-1-(4,6-dimethylpyrimidin-2-yl)guanidine (CID 579759) is 2-cyclohexyl-1-(4,6-dimethylpyrimidin-2-yl)guanidine.
What is the SMILES notation for 2-cyclohexyl-1-(4,6-dimethylpyrimidin-2-yl)guanidine?
The canonical SMILES for 2-cyclohexyl-1-(4,6-dimethylpyrimidin-2-yl)guanidine is Cc1cc(C)nc(N/C(N)=N/C2CCCCC2)n1.
What is the InChIKey of 2-cyclohexyl-1-(4,6-dimethylpyrimidin-2-yl)guanidine?
The InChIKey is OFJULBSMJCEMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-9-8-10(2)16-13(15-9)18-12(14)17-11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 2-cyclohexyl-1-(4,6-dimethylpyrimidin-2-yl)guanidine?
2-cyclohexyl-1-(4,6-dimethylpyrimidin-2-yl)guanidine has a molecular weight of 247.35 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(4,6-dimethylpyrimidin-2-yl)guanidine is sourced from PubChem (CID 579759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).