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

C24H24N6O2 — CID 20721773

IUPAC2-N,4-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C24H24N6O2/c1-16-4-6-17(7-5-16)25-22-28-23(26-18-8-12-20(31-2)13-9-18)30-24(29-22)27-19-10-14-21(32-3)15-11-19/h4-15H,1-3H3,(H3,25,26,27,28,29,30)
InChIKeyHHYIAPFSFGIGSC-UHFFFAOYSA-N
MW428.50 g/mol
LogP5.43
Rot. Bonds8

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

2-N,4-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 20721773) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 2-N,4-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID20721773
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name2-N,4-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C24H24N6O2/c1-16-4-6-17(7-5-16)25-22-28-23(26-18-8-12-20(31-2)13-9-18)30-24(29-22)27-19-10-14-21(32-3)15-11-19/h4-15H,1-3H3,(H3,25,26,27,28,29,30)
InChIKeyHHYIAPFSFGIGSC-UHFFFAOYSA-N
XLogP5.43
TPSA93.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.50
LogP ≤ 55.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine (CID 20721773) is 2-N,4-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine is COc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 2-N,4-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is HHYIAPFSFGIGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-16-4-6-17(7-5-16)25-22-28-23(26-18-8-12-20(31-2)13-9-18)30-24(29-22)27-19-10-14-21(32-3)15-11-19/h4-15H,1-3H3,(H3,25,26,27,28,29,30).
What are the key properties of 2-N,4-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 428.50 g/mol, XLogP of 5.43, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 20721773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).