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

C11H9BrClF2N5 — CID 102854503

IUPAC4-N-(5-bromo-2,4-difluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Cl)nc(Nc2cc(Br)c(F)cc2F)n1
InChIInChI=1S/C11H9BrClF2N5/c1-20(2)11-18-9(13)17-10(19-11)16-8-3-5(12)6(14)4-7(8)15/h3-4H,1-2H3,(H,16,17,18,19)
InChIKeyZEEQGPCFIRSYTQ-UHFFFAOYSA-N
MW364.58 g/mol
LogP3.38
Rot. Bonds3

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

4-N-(5-bromo-2,4-difluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 102854503) has the molecular formula C11H9BrClF2N5 and a molecular weight of 364.58 g/mol. Its IUPAC name is 4-N-(5-bromo-2,4-difluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-bromo-2,4-difluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID102854503
Molecular FormulaC11H9BrClF2N5
Molecular Weight364.58 g/mol
Exact Mass362.97
IUPAC Name4-N-(5-bromo-2,4-difluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Cl)nc(Nc2cc(Br)c(F)cc2F)n1
InChIInChI=1S/C11H9BrClF2N5/c1-20(2)11-18-9(13)17-10(19-11)16-8-3-5(12)6(14)4-7(8)15/h3-4H,1-2H3,(H,16,17,18,19)
InChIKeyZEEQGPCFIRSYTQ-UHFFFAOYSA-N
XLogP3.38
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.58
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromo-2,4-difluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(5-bromo-2,4-difluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 102854503) is 4-N-(5-bromo-2,4-difluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(5-bromo-2,4-difluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(5-bromo-2,4-difluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(Cl)nc(Nc2cc(Br)c(F)cc2F)n1.
What is the InChIKey of 4-N-(5-bromo-2,4-difluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZEEQGPCFIRSYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClF2N5/c1-20(2)11-18-9(13)17-10(19-11)16-8-3-5(12)6(14)4-7(8)15/h3-4H,1-2H3,(H,16,17,18,19).
What are the key properties of 4-N-(5-bromo-2,4-difluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
4-N-(5-bromo-2,4-difluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 364.58 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-bromo-2,4-difluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 102854503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).