2-N,4-N,6-N-tris(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine

C24H24N6O3 — CID 4913922

IUPAC2-N,4-N,6-N-tris(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(Nc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C24H24N6O3/c1-31-19-10-4-16(5-11-19)25-22-28-23(26-17-6-12-20(32-2)13-7-17)30-24(29-22)27-18-8-14-21(33-3)15-9-18/h4-15H,1-3H3,(H3,25,26,27,28,29,30)
InChIKeyUDVGZSXPQRYXKY-UHFFFAOYSA-N
MW444.50 g/mol
LogP5.13
Rot. Bonds9

About 2-N,4-N,6-N-tris(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine

2-N,4-N,6-N-tris(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 4913922) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 2-N,4-N,6-N-tris(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,6-N-tris(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID4913922
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name2-N,4-N,6-N-tris(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(Nc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C24H24N6O3/c1-31-19-10-4-16(5-11-19)25-22-28-23(26-17-6-12-20(32-2)13-7-17)30-24(29-22)27-18-8-14-21(33-3)15-9-18/h4-15H,1-3H3,(H3,25,26,27,28,29,30)
InChIKeyUDVGZSXPQRYXKY-UHFFFAOYSA-N
XLogP5.13
TPSA102.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.50
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-N-tris(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N,6-N-tris(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine (CID 4913922) is 2-N,4-N,6-N-tris(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,6-N-tris(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,6-N-tris(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine is COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(Nc3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 2-N,4-N,6-N-tris(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is UDVGZSXPQRYXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-31-19-10-4-16(5-11-19)25-22-28-23(26-17-6-12-20(32-2)13-7-17)30-24(29-22)27-18-8-14-21(33-3)15-9-18/h4-15H,1-3H3,(H3,25,26,27,28,29,30).
What are the key properties of 2-N,4-N,6-N-tris(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N,6-N-tris(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 444.50 g/mol, XLogP of 5.13, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-N-tris(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 4913922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).