2-(4,5,6-trichloropyrimidin-2-yl)guanidine

C5H4Cl3N5 — CID 12789416

IUPAC2-(4,5,6-trichloropyrimidin-2-yl)guanidine
SMILESNC(N)=Nc1nc(Cl)c(Cl)c(Cl)n1
InChIInChI=1S/C5H4Cl3N5/c6-1-2(7)11-5(12-3(1)8)13-4(9)10/h(H4,9,10,11,12,13)
InChIKeyWASNFONRZULSGG-UHFFFAOYSA-N
MW240.48 g/mol
LogP1.34
Rot. Bonds1

About 2-(4,5,6-trichloropyrimidin-2-yl)guanidine

2-(4,5,6-trichloropyrimidin-2-yl)guanidine (PubChem CID 12789416) has the molecular formula C5H4Cl3N5 and a molecular weight of 240.48 g/mol. Its IUPAC name is 2-(4,5,6-trichloropyrimidin-2-yl)guanidine.

Molecular Properties

Compound Name2-(4,5,6-trichloropyrimidin-2-yl)guanidine
PubChem CID12789416
Molecular FormulaC5H4Cl3N5
Molecular Weight240.48 g/mol
Exact Mass238.95
IUPAC Name2-(4,5,6-trichloropyrimidin-2-yl)guanidine
SMILESNC(N)=Nc1nc(Cl)c(Cl)c(Cl)n1
InChIInChI=1S/C5H4Cl3N5/c6-1-2(7)11-5(12-3(1)8)13-4(9)10/h(H4,9,10,11,12,13)
InChIKeyWASNFONRZULSGG-UHFFFAOYSA-N
XLogP1.34
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.48
LogP ≤ 51.34
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6-trichloropyrimidin-2-yl)guanidine?
The IUPAC name of 2-(4,5,6-trichloropyrimidin-2-yl)guanidine (CID 12789416) is 2-(4,5,6-trichloropyrimidin-2-yl)guanidine.
What is the SMILES notation for 2-(4,5,6-trichloropyrimidin-2-yl)guanidine?
The canonical SMILES for 2-(4,5,6-trichloropyrimidin-2-yl)guanidine is NC(N)=Nc1nc(Cl)c(Cl)c(Cl)n1.
What is the InChIKey of 2-(4,5,6-trichloropyrimidin-2-yl)guanidine?
The InChIKey is WASNFONRZULSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl3N5/c6-1-2(7)11-5(12-3(1)8)13-4(9)10/h(H4,9,10,11,12,13).
What are the key properties of 2-(4,5,6-trichloropyrimidin-2-yl)guanidine?
2-(4,5,6-trichloropyrimidin-2-yl)guanidine has a molecular weight of 240.48 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6-trichloropyrimidin-2-yl)guanidine is sourced from PubChem (CID 12789416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).