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

C15H10Br2N4 — CID 1478021

IUPAC4,6-bis(4-bromophenyl)-1,3,5-triazin-2-amine
SMILESNc1nc(-c2ccc(Br)cc2)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C15H10Br2N4/c16-11-5-1-9(2-6-11)13-19-14(21-15(18)20-13)10-3-7-12(17)8-4-10/h1-8H,(H2,18,19,20,21)
InChIKeyMKKPNXQFFQVTEG-UHFFFAOYSA-N
MW406.08 g/mol
LogP4.31
Rot. Bonds2

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

4,6-bis(4-bromophenyl)-1,3,5-triazin-2-amine (PubChem CID 1478021) has the molecular formula C15H10Br2N4 and a molecular weight of 406.08 g/mol. Its IUPAC name is 4,6-bis(4-bromophenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis(4-bromophenyl)-1,3,5-triazin-2-amine
PubChem CID1478021
Molecular FormulaC15H10Br2N4
Molecular Weight406.08 g/mol
Exact Mass403.93
IUPAC Name4,6-bis(4-bromophenyl)-1,3,5-triazin-2-amine
SMILESNc1nc(-c2ccc(Br)cc2)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C15H10Br2N4/c16-11-5-1-9(2-6-11)13-19-14(21-15(18)20-13)10-3-7-12(17)8-4-10/h1-8H,(H2,18,19,20,21)
InChIKeyMKKPNXQFFQVTEG-UHFFFAOYSA-N
XLogP4.31
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.08
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-bromophenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis(4-bromophenyl)-1,3,5-triazin-2-amine (CID 1478021) is 4,6-bis(4-bromophenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis(4-bromophenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis(4-bromophenyl)-1,3,5-triazin-2-amine is Nc1nc(-c2ccc(Br)cc2)nc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 4,6-bis(4-bromophenyl)-1,3,5-triazin-2-amine?
The InChIKey is MKKPNXQFFQVTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2N4/c16-11-5-1-9(2-6-11)13-19-14(21-15(18)20-13)10-3-7-12(17)8-4-10/h1-8H,(H2,18,19,20,21).
What are the key properties of 4,6-bis(4-bromophenyl)-1,3,5-triazin-2-amine?
4,6-bis(4-bromophenyl)-1,3,5-triazin-2-amine has a molecular weight of 406.08 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-bromophenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 1478021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).