6-chloro-2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine

C16H12Br2ClN5 — CID 118715065

IUPAC6-chloro-2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCc1cc(Br)c(Nc2nc(Cl)nc(Nc3ccccc3)n2)c(Br)c1
InChIInChI=1S/C16H12Br2ClN5/c1-9-7-11(17)13(12(18)8-9)21-16-23-14(19)22-15(24-16)20-10-5-3-2-4-6-10/h2-8H,1H3,(H2,20,21,22,23,24)
InChIKeyHLDSKKOSLASPJL-UHFFFAOYSA-N
MW469.57 g/mol
LogP5.85
Rot. Bonds4

About 6-chloro-2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 118715065) has the molecular formula C16H12Br2ClN5 and a molecular weight of 469.57 g/mol. Its IUPAC name is 6-chloro-2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID118715065
Molecular FormulaC16H12Br2ClN5
Molecular Weight469.57 g/mol
Exact Mass466.91
IUPAC Name6-chloro-2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCc1cc(Br)c(Nc2nc(Cl)nc(Nc3ccccc3)n2)c(Br)c1
InChIInChI=1S/C16H12Br2ClN5/c1-9-7-11(17)13(12(18)8-9)21-16-23-14(19)22-15(24-16)20-10-5-3-2-4-6-10/h2-8H,1H3,(H2,20,21,22,23,24)
InChIKeyHLDSKKOSLASPJL-UHFFFAOYSA-N
XLogP5.85
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.57
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

bis(4-chloro-6-methyl-N-phenyl-1,3,5-triazin-2-amine);ethane
CID 159104924
4,6-dichloro-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 768151
6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 6452884
4-[[4-amino-6-(2,6-dibromo-4-methylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 505532
6-chloro-2-N-(4-fluorophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 23033168
N-(4-bromo-3-methylphenyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 55124610
6-chloro-2-N-(2,6-dibromophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 107604501
4,6-dichloro-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine
CID 59052845
4,6-dichloro-N-(3-fluoro-5-methylphenyl)-1,3,5-triazin-2-amine
CID 79050159
4-[[4-chloro-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid
CID 59346269
6-chloro-4-N-[2-[[4-chloro-6-(phosphanylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 118921034
2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
CID 2837386

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine (CID 118715065) is 6-chloro-2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine is Cc1cc(Br)c(Nc2nc(Cl)nc(Nc3ccccc3)n2)c(Br)c1.
What is the InChIKey of 6-chloro-2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is HLDSKKOSLASPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2ClN5/c1-9-7-11(17)13(12(18)8-9)21-16-23-14(19)22-15(24-16)20-10-5-3-2-4-6-10/h2-8H,1H3,(H2,20,21,22,23,24).
What are the key properties of 6-chloro-2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 469.57 g/mol, XLogP of 5.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 118715065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).