4,6-dichloro-N-(3-fluoro-5-methylphenyl)-1,3,5-triazin-2-amine

C10H7Cl2FN4 — CID 79050159

IUPAC4,6-dichloro-N-(3-fluoro-5-methylphenyl)-1,3,5-triazin-2-amine
SMILESCc1cc(F)cc(Nc2nc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C10H7Cl2FN4/c1-5-2-6(13)4-7(3-5)14-10-16-8(11)15-9(12)17-10/h2-4H,1H3,(H,14,15,16,17)
InChIKeyYHDLUZYNQYZYBQ-UHFFFAOYSA-N
MW273.10 g/mol
LogP3.37
Rot. Bonds2

About 4,6-dichloro-N-(3-fluoro-5-methylphenyl)-1,3,5-triazin-2-amine

4,6-dichloro-N-(3-fluoro-5-methylphenyl)-1,3,5-triazin-2-amine (PubChem CID 79050159) has the molecular formula C10H7Cl2FN4 and a molecular weight of 273.10 g/mol. Its IUPAC name is 4,6-dichloro-N-(3-fluoro-5-methylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(3-fluoro-5-methylphenyl)-1,3,5-triazin-2-amine
PubChem CID79050159
Molecular FormulaC10H7Cl2FN4
Molecular Weight273.10 g/mol
Exact Mass272.00
IUPAC Name4,6-dichloro-N-(3-fluoro-5-methylphenyl)-1,3,5-triazin-2-amine
SMILESCc1cc(F)cc(Nc2nc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C10H7Cl2FN4/c1-5-2-6(13)4-7(3-5)14-10-16-8(11)15-9(12)17-10/h2-4H,1H3,(H,14,15,16,17)
InChIKeyYHDLUZYNQYZYBQ-UHFFFAOYSA-N
XLogP3.37
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,6-dichloro-N-(3-fluoro-5-methylphenyl)-1,3,5-triazin-2-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 4,6-dichloro-N-(3-fluoro-5-methylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(3-fluoro-5-methylphenyl)-1,3,5-triazin-2-amine (CID 79050159) is 4,6-dichloro-N-(3-fluoro-5-methylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(3-fluoro-5-methylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(3-fluoro-5-methylphenyl)-1,3,5-triazin-2-amine is Cc1cc(F)cc(Nc2nc(Cl)nc(Cl)n2)c1.
What is the InChIKey of 4,6-dichloro-N-(3-fluoro-5-methylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is YHDLUZYNQYZYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2FN4/c1-5-2-6(13)4-7(3-5)14-10-16-8(11)15-9(12)17-10/h2-4H,1H3,(H,14,15,16,17).
What are the key properties of 4,6-dichloro-N-(3-fluoro-5-methylphenyl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(3-fluoro-5-methylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 273.10 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(3-fluoro-5-methylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 79050159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).