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

C16H14Br2N6 — CID 118715071

IUPAC2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
SMILESCc1cc(Br)c(Nc2nc(N)nc(Nc3ccccc3)n2)c(Br)c1
InChIInChI=1S/C16H14Br2N6/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,(H4,19,20,21,22,23,24)
InChIKeyRURBUYWCVXXTQG-UHFFFAOYSA-N
MW450.14 g/mol
LogP4.77
Rot. Bonds4

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

2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 118715071) has the molecular formula C16H14Br2N6 and a molecular weight of 450.14 g/mol. Its IUPAC name is 2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
PubChem CID118715071
Molecular FormulaC16H14Br2N6
Molecular Weight450.14 g/mol
Exact Mass447.96
IUPAC Name2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
SMILESCc1cc(Br)c(Nc2nc(N)nc(Nc3ccccc3)n2)c(Br)c1
InChIInChI=1S/C16H14Br2N6/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,(H4,19,20,21,22,23,24)
InChIKeyRURBUYWCVXXTQG-UHFFFAOYSA-N
XLogP4.77
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.14
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine (CID 118715071) is 2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine is Cc1cc(Br)c(Nc2nc(N)nc(Nc3ccccc3)n2)c(Br)c1.
What is the InChIKey of 2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is RURBUYWCVXXTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2N6/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,(H4,19,20,21,22,23,24).
What are the key properties of 2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine?
2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 450.14 g/mol, XLogP of 4.77, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 118715071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).