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

C9H5BrCl2N4 — CID 30128

IUPACN-(4-bromophenyl)-4,6-dichloro-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(Nc2ccc(Br)cc2)n1
InChIInChI=1S/C9H5BrCl2N4/c10-5-1-3-6(4-2-5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16)
InChIKeyIWIXEPQRDKRMCA-UHFFFAOYSA-N
MW319.98 g/mol
LogP3.68
Rot. Bonds2

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

N-(4-bromophenyl)-4,6-dichloro-1,3,5-triazin-2-amine (PubChem CID 30128) has the molecular formula C9H5BrCl2N4 and a molecular weight of 319.98 g/mol. Its IUPAC name is N-(4-bromophenyl)-4,6-dichloro-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-4,6-dichloro-1,3,5-triazin-2-amine
PubChem CID30128
Molecular FormulaC9H5BrCl2N4
Molecular Weight319.98 g/mol
Exact Mass317.91
IUPAC NameN-(4-bromophenyl)-4,6-dichloro-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(Nc2ccc(Br)cc2)n1
InChIInChI=1S/C9H5BrCl2N4/c10-5-1-3-6(4-2-5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16)
InChIKeyIWIXEPQRDKRMCA-UHFFFAOYSA-N
XLogP3.68
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.98
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4,6-dichloro-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-bromophenyl)-4,6-dichloro-1,3,5-triazin-2-amine (CID 30128) is N-(4-bromophenyl)-4,6-dichloro-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-bromophenyl)-4,6-dichloro-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-bromophenyl)-4,6-dichloro-1,3,5-triazin-2-amine is Clc1nc(Cl)nc(Nc2ccc(Br)cc2)n1.
What is the InChIKey of N-(4-bromophenyl)-4,6-dichloro-1,3,5-triazin-2-amine?
The InChIKey is IWIXEPQRDKRMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrCl2N4/c10-5-1-3-6(4-2-5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16).
What are the key properties of N-(4-bromophenyl)-4,6-dichloro-1,3,5-triazin-2-amine?
N-(4-bromophenyl)-4,6-dichloro-1,3,5-triazin-2-amine has a molecular weight of 319.98 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4,6-dichloro-1,3,5-triazin-2-amine is sourced from PubChem (CID 30128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).