4-chloro-6-(2-chloro-5-fluorophenyl)-N,N-dimethyl-1,3,5-triazin-2-amine

C11H9Cl2FN4 — CID 105395995

IUPAC4-chloro-6-(2-chloro-5-fluorophenyl)-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(-c2cc(F)ccc2Cl)n1
InChIInChI=1S/C11H9Cl2FN4/c1-18(2)11-16-9(15-10(13)17-11)7-5-6(14)3-4-8(7)12/h3-5H,1-2H3
InChIKeyAMXKIRSBMPBXCT-UHFFFAOYSA-N
MW287.13 g/mol
LogP3.05
Rot. Bonds2

About 4-chloro-6-(2-chloro-5-fluorophenyl)-N,N-dimethyl-1,3,5-triazin-2-amine

4-chloro-6-(2-chloro-5-fluorophenyl)-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 105395995) has the molecular formula C11H9Cl2FN4 and a molecular weight of 287.13 g/mol. Its IUPAC name is 4-chloro-6-(2-chloro-5-fluorophenyl)-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2-chloro-5-fluorophenyl)-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID105395995
Molecular FormulaC11H9Cl2FN4
Molecular Weight287.13 g/mol
Exact Mass286.02
IUPAC Name4-chloro-6-(2-chloro-5-fluorophenyl)-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(-c2cc(F)ccc2Cl)n1
InChIInChI=1S/C11H9Cl2FN4/c1-18(2)11-16-9(15-10(13)17-11)7-5-6(14)3-4-8(7)12/h3-5H,1-2H3
InChIKeyAMXKIRSBMPBXCT-UHFFFAOYSA-N
XLogP3.05
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-chloro-5-fluorophenyl)-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2-chloro-5-fluorophenyl)-N,N-dimethyl-1,3,5-triazin-2-amine (CID 105395995) is 4-chloro-6-(2-chloro-5-fluorophenyl)-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2-chloro-5-fluorophenyl)-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2-chloro-5-fluorophenyl)-N,N-dimethyl-1,3,5-triazin-2-amine is CN(C)c1nc(Cl)nc(-c2cc(F)ccc2Cl)n1.
What is the InChIKey of 4-chloro-6-(2-chloro-5-fluorophenyl)-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is AMXKIRSBMPBXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2FN4/c1-18(2)11-16-9(15-10(13)17-11)7-5-6(14)3-4-8(7)12/h3-5H,1-2H3.
What are the key properties of 4-chloro-6-(2-chloro-5-fluorophenyl)-N,N-dimethyl-1,3,5-triazin-2-amine?
4-chloro-6-(2-chloro-5-fluorophenyl)-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 287.13 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-chloro-5-fluorophenyl)-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 105395995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).