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

C24H24N6O — CID 11582336

IUPAC6-N-(4-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(Nc2nc(Nc3cccc(C)c3)nc(Nc3cccc(C)c3)n2)cc1
InChIInChI=1S/C24H24N6O/c1-16-6-4-8-19(14-16)26-23-28-22(25-18-10-12-21(31-3)13-11-18)29-24(30-23)27-20-9-5-7-17(2)15-20/h4-15H,1-3H3,(H3,25,26,27,28,29,30)
InChIKeyKQJHEAUPUFGPOR-UHFFFAOYSA-N
MW412.50 g/mol
LogP5.73
Rot. Bonds7

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

6-N-(4-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 11582336) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 6-N-(4-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-(4-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID11582336
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name6-N-(4-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(Nc2nc(Nc3cccc(C)c3)nc(Nc3cccc(C)c3)n2)cc1
InChIInChI=1S/C24H24N6O/c1-16-6-4-8-19(14-16)26-23-28-22(25-18-10-12-21(31-3)13-11-18)29-24(30-23)27-20-9-5-7-17(2)15-20/h4-15H,1-3H3,(H3,25,26,27,28,29,30)
InChIKeyKQJHEAUPUFGPOR-UHFFFAOYSA-N
XLogP5.73
TPSA83.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.50
LogP ≤ 55.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-(4-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-(4-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine (CID 11582336) is 6-N-(4-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-(4-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-(4-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine is COc1ccc(Nc2nc(Nc3cccc(C)c3)nc(Nc3cccc(C)c3)n2)cc1.
What is the InChIKey of 6-N-(4-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is KQJHEAUPUFGPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-16-6-4-8-19(14-16)26-23-28-22(25-18-10-12-21(31-3)13-11-18)29-24(30-23)27-20-9-5-7-17(2)15-20/h4-15H,1-3H3,(H3,25,26,27,28,29,30).
What are the key properties of 6-N-(4-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
6-N-(4-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 412.50 g/mol, XLogP of 5.73, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 11582336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).