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

C24H26N6O — CID 123458693

IUPAC2-N-(4-methoxyphenyl)-4-N,6-N-bis(3-methylphenyl)-1,4-dihydro-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(NC2=NC(Nc3cccc(C)c3)N=C(Nc3cccc(C)c3)N2)cc1
InChIInChI=1S/C24H26N6O/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/h4-15,23,26H,1-3H3,(H3,25,27,28,29,30)
InChIKeySOVKAFJQZAQWCO-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.55
Rot. Bonds5

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

2-N-(4-methoxyphenyl)-4-N,6-N-bis(3-methylphenyl)-1,4-dihydro-1,3,5-triazine-2,4,6-triamine (PubChem CID 123458693) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-N-(4-methoxyphenyl)-4-N,6-N-bis(3-methylphenyl)-1,4-dihydro-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(4-methoxyphenyl)-4-N,6-N-bis(3-methylphenyl)-1,4-dihydro-1,3,5-triazine-2,4,6-triamine
PubChem CID123458693
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name2-N-(4-methoxyphenyl)-4-N,6-N-bis(3-methylphenyl)-1,4-dihydro-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(NC2=NC(Nc3cccc(C)c3)N=C(Nc3cccc(C)c3)N2)cc1
InChIInChI=1S/C24H26N6O/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/h4-15,23,26H,1-3H3,(H3,25,27,28,29,30)
InChIKeySOVKAFJQZAQWCO-UHFFFAOYSA-N
XLogP4.55
TPSA82.07 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxyphenyl)-4-N,6-N-bis(3-methylphenyl)-1,4-dihydro-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(4-methoxyphenyl)-4-N,6-N-bis(3-methylphenyl)-1,4-dihydro-1,3,5-triazine-2,4,6-triamine (CID 123458693) is 2-N-(4-methoxyphenyl)-4-N,6-N-bis(3-methylphenyl)-1,4-dihydro-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(4-methoxyphenyl)-4-N,6-N-bis(3-methylphenyl)-1,4-dihydro-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(4-methoxyphenyl)-4-N,6-N-bis(3-methylphenyl)-1,4-dihydro-1,3,5-triazine-2,4,6-triamine is COc1ccc(NC2=NC(Nc3cccc(C)c3)N=C(Nc3cccc(C)c3)N2)cc1.
What is the InChIKey of 2-N-(4-methoxyphenyl)-4-N,6-N-bis(3-methylphenyl)-1,4-dihydro-1,3,5-triazine-2,4,6-triamine?
The InChIKey is SOVKAFJQZAQWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/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/h4-15,23,26H,1-3H3,(H3,25,27,28,29,30).
What are the key properties of 2-N-(4-methoxyphenyl)-4-N,6-N-bis(3-methylphenyl)-1,4-dihydro-1,3,5-triazine-2,4,6-triamine?
2-N-(4-methoxyphenyl)-4-N,6-N-bis(3-methylphenyl)-1,4-dihydro-1,3,5-triazine-2,4,6-triamine has a molecular weight of 414.51 g/mol, XLogP of 4.55, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxyphenyl)-4-N,6-N-bis(3-methylphenyl)-1,4-dihydro-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 123458693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).