2,5,6-trichloro-N-fluoropyrimidin-4-amine

C4HCl3FN3 — CID 102119504

IUPAC2,5,6-trichloro-N-fluoropyrimidin-4-amine
SMILESFNc1nc(Cl)nc(Cl)c1Cl
InChIInChI=1S/C4HCl3FN3/c5-1-2(6)9-4(7)10-3(1)11-8/h(H,9,10,11)
InChIKeySPDQYFIRWQVEEB-UHFFFAOYSA-N
MW216.43 g/mol
LogP2.73
Rot. Bonds1

About 2,5,6-trichloro-N-fluoropyrimidin-4-amine

2,5,6-trichloro-N-fluoropyrimidin-4-amine (PubChem CID 102119504) has the molecular formula C4HCl3FN3 and a molecular weight of 216.43 g/mol. Its IUPAC name is 2,5,6-trichloro-N-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2,5,6-trichloro-N-fluoropyrimidin-4-amine
PubChem CID102119504
Molecular FormulaC4HCl3FN3
Molecular Weight216.43 g/mol
Exact Mass214.92
IUPAC Name2,5,6-trichloro-N-fluoropyrimidin-4-amine
SMILESFNc1nc(Cl)nc(Cl)c1Cl
InChIInChI=1S/C4HCl3FN3/c5-1-2(6)9-4(7)10-3(1)11-8/h(H,9,10,11)
InChIKeySPDQYFIRWQVEEB-UHFFFAOYSA-N
XLogP2.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 2,5,6-trichloro-N-fluoropyrimidin-4-amine 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 2,5,6-trichloro-N-fluoropyrimidin-4-amine?
The IUPAC name of 2,5,6-trichloro-N-fluoropyrimidin-4-amine (CID 102119504) is 2,5,6-trichloro-N-fluoropyrimidin-4-amine.
What is the SMILES notation for 2,5,6-trichloro-N-fluoropyrimidin-4-amine?
The canonical SMILES for 2,5,6-trichloro-N-fluoropyrimidin-4-amine is FNc1nc(Cl)nc(Cl)c1Cl.
What is the InChIKey of 2,5,6-trichloro-N-fluoropyrimidin-4-amine?
The InChIKey is SPDQYFIRWQVEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HCl3FN3/c5-1-2(6)9-4(7)10-3(1)11-8/h(H,9,10,11).
What are the key properties of 2,5,6-trichloro-N-fluoropyrimidin-4-amine?
2,5,6-trichloro-N-fluoropyrimidin-4-amine has a molecular weight of 216.43 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trichloro-N-fluoropyrimidin-4-amine is sourced from PubChem (CID 102119504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).