2-(4,6-difluoropyrimidin-2-yl)guanidine

C5H5F2N5 — CID 15274089

IUPAC2-(4,6-difluoropyrimidin-2-yl)guanidine
SMILESNC(N)=Nc1nc(F)cc(F)n1
InChIInChI=1S/C5H5F2N5/c6-2-1-3(7)11-5(10-2)12-4(8)9/h1H,(H4,8,9,10,11,12)
InChIKeyVIJAOSXGKCQZHN-UHFFFAOYSA-N
MW173.13 g/mol
LogP-0.34
Rot. Bonds1

About 2-(4,6-difluoropyrimidin-2-yl)guanidine

2-(4,6-difluoropyrimidin-2-yl)guanidine (PubChem CID 15274089) has the molecular formula C5H5F2N5 and a molecular weight of 173.13 g/mol. Its IUPAC name is 2-(4,6-difluoropyrimidin-2-yl)guanidine.

Molecular Properties

Compound Name2-(4,6-difluoropyrimidin-2-yl)guanidine
PubChem CID15274089
Molecular FormulaC5H5F2N5
Molecular Weight173.13 g/mol
Exact Mass173.05
IUPAC Name2-(4,6-difluoropyrimidin-2-yl)guanidine
SMILESNC(N)=Nc1nc(F)cc(F)n1
InChIInChI=1S/C5H5F2N5/c6-2-1-3(7)11-5(10-2)12-4(8)9/h1H,(H4,8,9,10,11,12)
InChIKeyVIJAOSXGKCQZHN-UHFFFAOYSA-N
XLogP-0.34
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.13
LogP ≤ 5-0.34
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'}

Analyze 2-(4,6-difluoropyrimidin-2-yl)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 2-(4,6-difluoropyrimidin-2-yl)guanidine?
The IUPAC name of 2-(4,6-difluoropyrimidin-2-yl)guanidine (CID 15274089) is 2-(4,6-difluoropyrimidin-2-yl)guanidine.
What is the SMILES notation for 2-(4,6-difluoropyrimidin-2-yl)guanidine?
The canonical SMILES for 2-(4,6-difluoropyrimidin-2-yl)guanidine is NC(N)=Nc1nc(F)cc(F)n1.
What is the InChIKey of 2-(4,6-difluoropyrimidin-2-yl)guanidine?
The InChIKey is VIJAOSXGKCQZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N5/c6-2-1-3(7)11-5(10-2)12-4(8)9/h1H,(H4,8,9,10,11,12).
What are the key properties of 2-(4,6-difluoropyrimidin-2-yl)guanidine?
2-(4,6-difluoropyrimidin-2-yl)guanidine has a molecular weight of 173.13 g/mol, XLogP of -0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-difluoropyrimidin-2-yl)guanidine is sourced from PubChem (CID 15274089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).