N-(5-bromo-2,4-difluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine

C9H3BrCl2F2N4 — CID 102854532

IUPACN-(5-bromo-2,4-difluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine
SMILESFc1cc(F)c(Nc2nc(Cl)nc(Cl)n2)cc1Br
InChIInChI=1S/C9H3BrCl2F2N4/c10-3-1-6(5(14)2-4(3)13)15-9-17-7(11)16-8(12)18-9/h1-2H,(H,15,16,17,18)
InChIKeyVTNXIMKGYUJBIX-UHFFFAOYSA-N
MW355.96 g/mol
LogP3.96
Rot. Bonds2

About N-(5-bromo-2,4-difluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine

N-(5-bromo-2,4-difluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine (PubChem CID 102854532) has the molecular formula C9H3BrCl2F2N4 and a molecular weight of 355.96 g/mol. Its IUPAC name is N-(5-bromo-2,4-difluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(5-bromo-2,4-difluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine
PubChem CID102854532
Molecular FormulaC9H3BrCl2F2N4
Molecular Weight355.96 g/mol
Exact Mass353.89
IUPAC NameN-(5-bromo-2,4-difluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine
SMILESFc1cc(F)c(Nc2nc(Cl)nc(Cl)n2)cc1Br
InChIInChI=1S/C9H3BrCl2F2N4/c10-3-1-6(5(14)2-4(3)13)15-9-17-7(11)16-8(12)18-9/h1-2H,(H,15,16,17,18)
InChIKeyVTNXIMKGYUJBIX-UHFFFAOYSA-N
XLogP3.96
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.96
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-N-(5-bromo-2,4-difluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 102854503
N-(4-bromo-2,5-difluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 107614894
2-N-(5-bromo-2,4-difluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 102855487
N-(5-bromo-2,4-difluorophenyl)-6-chloro-2-cyclopropylpyrimidin-4-amine
CID 102854536
N-(2-bromo-6-chloro-4-fluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 107614970
1-N-(5-bromo-2,4-difluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 102852474
N-(5-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 62859689
4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62869327
N-(4-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 55124358
N-(5-bromo-2,4-difluorophenyl)-6-hydrazinylpyrazin-2-amine
CID 102855667
6-chloro-2-N-(2,5-difluorophenyl)-1,3,5-triazine-2,4-diamine
CID 80759681
2-N-(2-bromo-5-chlorophenyl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 81271667

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,4-difluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine?
The IUPAC name of N-(5-bromo-2,4-difluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine (CID 102854532) is N-(5-bromo-2,4-difluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(5-bromo-2,4-difluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine?
The canonical SMILES for N-(5-bromo-2,4-difluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine is Fc1cc(F)c(Nc2nc(Cl)nc(Cl)n2)cc1Br.
What is the InChIKey of N-(5-bromo-2,4-difluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine?
The InChIKey is VTNXIMKGYUJBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3BrCl2F2N4/c10-3-1-6(5(14)2-4(3)13)15-9-17-7(11)16-8(12)18-9/h1-2H,(H,15,16,17,18).
What are the key properties of N-(5-bromo-2,4-difluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine?
N-(5-bromo-2,4-difluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine has a molecular weight of 355.96 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,4-difluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine is sourced from PubChem (CID 102854532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).