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

C15H27N5 — CID 2967657

IUPAC1,1-dibutyl-2-(4,6-dimethylpyrimidin-2-yl)guanidine
SMILESCCCCN(CCCC)C(N)=Nc1nc(C)cc(C)n1
InChIInChI=1S/C15H27N5/c1-5-7-9-20(10-8-6-2)14(16)19-15-17-12(3)11-13(4)18-15/h11H,5-10H2,1-4H3,(H2,16,17,18,19)
InChIKeyVZGLGTUOFFDSFE-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.94
Rot. Bonds7

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

1,1-dibutyl-2-(4,6-dimethylpyrimidin-2-yl)guanidine (PubChem CID 2967657) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 1,1-dibutyl-2-(4,6-dimethylpyrimidin-2-yl)guanidine.

Molecular Properties

Compound Name1,1-dibutyl-2-(4,6-dimethylpyrimidin-2-yl)guanidine
PubChem CID2967657
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name1,1-dibutyl-2-(4,6-dimethylpyrimidin-2-yl)guanidine
SMILESCCCCN(CCCC)C(N)=Nc1nc(C)cc(C)n1
InChIInChI=1S/C15H27N5/c1-5-7-9-20(10-8-6-2)14(16)19-15-17-12(3)11-13(4)18-15/h11H,5-10H2,1-4H3,(H2,16,17,18,19)
InChIKeyVZGLGTUOFFDSFE-UHFFFAOYSA-N
XLogP2.94
TPSA67.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
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 1,1-dibutyl-2-(4,6-dimethylpyrimidin-2-yl)guanidine?
The IUPAC name of 1,1-dibutyl-2-(4,6-dimethylpyrimidin-2-yl)guanidine (CID 2967657) is 1,1-dibutyl-2-(4,6-dimethylpyrimidin-2-yl)guanidine.
What is the SMILES notation for 1,1-dibutyl-2-(4,6-dimethylpyrimidin-2-yl)guanidine?
The canonical SMILES for 1,1-dibutyl-2-(4,6-dimethylpyrimidin-2-yl)guanidine is CCCCN(CCCC)C(N)=Nc1nc(C)cc(C)n1.
What is the InChIKey of 1,1-dibutyl-2-(4,6-dimethylpyrimidin-2-yl)guanidine?
The InChIKey is VZGLGTUOFFDSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-5-7-9-20(10-8-6-2)14(16)19-15-17-12(3)11-13(4)18-15/h11H,5-10H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 1,1-dibutyl-2-(4,6-dimethylpyrimidin-2-yl)guanidine?
1,1-dibutyl-2-(4,6-dimethylpyrimidin-2-yl)guanidine has a molecular weight of 277.42 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutyl-2-(4,6-dimethylpyrimidin-2-yl)guanidine is sourced from PubChem (CID 2967657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).