6-chloro-2-N-(2-chloro-4,6-difluorophenyl)-1,3,5-triazine-2,4-diamine

C9H5Cl2F2N5 — CID 83083273

IUPAC6-chloro-2-N-(2-chloro-4,6-difluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Cl)nc(Nc2c(F)cc(F)cc2Cl)n1
InChIInChI=1S/C9H5Cl2F2N5/c10-4-1-3(12)2-5(13)6(4)15-9-17-7(11)16-8(14)18-9/h1-2H,(H3,14,15,16,17,18)
InChIKeyGHFGPLFRKLUSMZ-UHFFFAOYSA-N
MW292.08 g/mol
LogP2.78
Rot. Bonds2

About 6-chloro-2-N-(2-chloro-4,6-difluorophenyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(2-chloro-4,6-difluorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 83083273) has the molecular formula C9H5Cl2F2N5 and a molecular weight of 292.08 g/mol. Its IUPAC name is 6-chloro-2-N-(2-chloro-4,6-difluorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2-chloro-4,6-difluorophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID83083273
Molecular FormulaC9H5Cl2F2N5
Molecular Weight292.08 g/mol
Exact Mass290.99
IUPAC Name6-chloro-2-N-(2-chloro-4,6-difluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Cl)nc(Nc2c(F)cc(F)cc2Cl)n1
InChIInChI=1S/C9H5Cl2F2N5/c10-4-1-3(12)2-5(13)6(4)15-9-17-7(11)16-8(14)18-9/h1-2H,(H3,14,15,16,17,18)
InChIKeyGHFGPLFRKLUSMZ-UHFFFAOYSA-N
XLogP2.78
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.08
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-N-(2-chloro-4,6-difluorophenyl)-1,3,5-triazine-2,4-diamine 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 6-chloro-2-N-(2-chloro-4,6-difluorophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(2-chloro-4,6-difluorophenyl)-1,3,5-triazine-2,4-diamine (CID 83083273) is 6-chloro-2-N-(2-chloro-4,6-difluorophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(2-chloro-4,6-difluorophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(2-chloro-4,6-difluorophenyl)-1,3,5-triazine-2,4-diamine is Nc1nc(Cl)nc(Nc2c(F)cc(F)cc2Cl)n1.
What is the InChIKey of 6-chloro-2-N-(2-chloro-4,6-difluorophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is GHFGPLFRKLUSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2F2N5/c10-4-1-3(12)2-5(13)6(4)15-9-17-7(11)16-8(14)18-9/h1-2H,(H3,14,15,16,17,18).
What are the key properties of 6-chloro-2-N-(2-chloro-4,6-difluorophenyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(2-chloro-4,6-difluorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 292.08 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(2-chloro-4,6-difluorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 83083273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).