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

C36H48N6O9 — CID 23527673

IUPAC2-N,4-N,6-N-tris[3-(2-ethoxyethoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCOCCOc1cc(Nc2nc(Nc3ccc(OC)c(OCCOCC)c3)nc(Nc3ccc(OC)c(OCCOCC)c3)n2)ccc1OC
InChIInChI=1S/C36H48N6O9/c1-7-46-16-19-49-31-22-25(10-13-28(31)43-4)37-34-40-35(38-26-11-14-29(44-5)32(23-26)50-20-17-47-8-2)42-36(41-34)39-27-12-15-30(45-6)33(24-27)51-21-18-48-9-3/h10-15,22-24H,7-9,16-21H2,1-6H3,(H3,37,38,39,40,41,42)
InChIKeyDDQXAGRILVMXHG-UHFFFAOYSA-N
MW708.81 g/mol
LogP6.37
Rot. Bonds24

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

2-N,4-N,6-N-tris[3-(2-ethoxyethoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 23527673) has the molecular formula C36H48N6O9 and a molecular weight of 708.81 g/mol. Its IUPAC name is 2-N,4-N,6-N-tris[3-(2-ethoxyethoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,6-N-tris[3-(2-ethoxyethoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID23527673
Molecular FormulaC36H48N6O9
Molecular Weight708.81 g/mol
Exact Mass708.35
IUPAC Name2-N,4-N,6-N-tris[3-(2-ethoxyethoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCOCCOc1cc(Nc2nc(Nc3ccc(OC)c(OCCOCC)c3)nc(Nc3ccc(OC)c(OCCOCC)c3)n2)ccc1OC
InChIInChI=1S/C36H48N6O9/c1-7-46-16-19-49-31-22-25(10-13-28(31)43-4)37-34-40-35(38-26-11-14-29(44-5)32(23-26)50-20-17-47-8-2)42-36(41-34)39-27-12-15-30(45-6)33(24-27)51-21-18-48-9-3/h10-15,22-24H,7-9,16-21H2,1-6H3,(H3,37,38,39,40,41,42)
InChIKeyDDQXAGRILVMXHG-UHFFFAOYSA-N
XLogP6.37
TPSA157.83 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500708.81
LogP ≤ 56.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-N,4-N,6-N-tris[3-(2-ethoxyethoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

2-N-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536406
1-(2-ethoxyethoxy)-2-methoxybenzene
CID 57249631
2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N,6-N-tris[3,4-bis(3-methylbutoxy)phenyl]-1,3,5-triazine-2,4,6-triamine
CID 90969454
2-N,4-N,6-N-tris(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N,6-N-tris[5-[2-(2-ethoxyethoxy)ethoxy]-4-methoxy-2-methylphenyl]-1,3,5-triazine-2,4,6-triamine
CID 91463292
2-N-[4-methoxy-3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146397993
2-N-[[3-(2-ethoxyethoxy)-4-methoxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627439
2-N-(4-chloro-3-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 107623632
2-N-[3,4-bis(2-methoxyethoxy)phenyl]-4-N-(1H-indol-5-yl)-1,3,5-triazine-2,4-diamine
CID 23536381
6-[4-methoxy-3-(2-methoxyethoxy)anilino]pyridazine-3-carbonitrile
CID 133418637
3-[[4-(3,4-dimethoxyanilino)-1,3,5-triazin-2-yl]amino]propanenitrile
CID 23535836
4-N-ethyl-2-N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80773421
N-(4-methoxy-3-methylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine
CID 163936403

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-N-tris[3-(2-ethoxyethoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N,6-N-tris[3-(2-ethoxyethoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4,6-triamine (CID 23527673) is 2-N,4-N,6-N-tris[3-(2-ethoxyethoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,6-N-tris[3-(2-ethoxyethoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,6-N-tris[3-(2-ethoxyethoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4,6-triamine is CCOCCOc1cc(Nc2nc(Nc3ccc(OC)c(OCCOCC)c3)nc(Nc3ccc(OC)c(OCCOCC)c3)n2)ccc1OC.
What is the InChIKey of 2-N,4-N,6-N-tris[3-(2-ethoxyethoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is DDQXAGRILVMXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H48N6O9/c1-7-46-16-19-49-31-22-25(10-13-28(31)43-4)37-34-40-35(38-26-11-14-29(44-5)32(23-26)50-20-17-47-8-2)42-36(41-34)39-27-12-15-30(45-6)33(24-27)51-21-18-48-9-3/h10-15,22-24H,7-9,16-21H2,1-6H3,(H3,37,38,39,40,41,42).
What are the key properties of 2-N,4-N,6-N-tris[3-(2-ethoxyethoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4,6-triamine?
2-N,4-N,6-N-tris[3-(2-ethoxyethoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 708.81 g/mol, XLogP of 6.37, 24 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-N-tris[3-(2-ethoxyethoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23527673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).