2-N,4-N-bis[4-[(3,5-dimethylphenyl)diazenyl]phenyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

C35H36N10O — CID 20762407

IUPAC2-N,4-N-bis[4-[(3,5-dimethylphenyl)diazenyl]phenyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCc1cc(C)cc(/N=N/c2ccc(Nc3nc(Nc4ccc(/N=N/c5cc(C)cc(C)c5)cc4)nc(N4CCOCC4)n3)cc2)c1
InChIInChI=1S/C35H36N10O/c1-23-17-24(2)20-31(19-23)43-41-29-9-5-27(6-10-29)36-33-38-34(40-35(39-33)45-13-15-46-16-14-45)37-28-7-11-30(12-8-28)42-44-32-21-25(3)18-26(4)22-32/h5-12,17-22H,13-16H2,1-4H3,(H2,36,37,38,39,40)/b43-41+,44-42+
InChIKeyYTUNAHYFSCHUQN-CHQNLTHESA-N
MW612.74 g/mol
LogP9.26
Rot. Bonds9

About 2-N,4-N-bis[4-[(3,5-dimethylphenyl)diazenyl]phenyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

2-N,4-N-bis[4-[(3,5-dimethylphenyl)diazenyl]phenyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 20762407) has the molecular formula C35H36N10O and a molecular weight of 612.74 g/mol. Its IUPAC name is 2-N,4-N-bis[4-[(3,5-dimethylphenyl)diazenyl]phenyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis[4-[(3,5-dimethylphenyl)diazenyl]phenyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID20762407
Molecular FormulaC35H36N10O
Molecular Weight612.74 g/mol
Exact Mass612.31
IUPAC Name2-N,4-N-bis[4-[(3,5-dimethylphenyl)diazenyl]phenyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCc1cc(C)cc(/N=N/c2ccc(Nc3nc(Nc4ccc(/N=N/c5cc(C)cc(C)c5)cc4)nc(N4CCOCC4)n3)cc2)c1
InChIInChI=1S/C35H36N10O/c1-23-17-24(2)20-31(19-23)43-41-29-9-5-27(6-10-29)36-33-38-34(40-35(39-33)45-13-15-46-16-14-45)37-28-7-11-30(12-8-28)42-44-32-21-25(3)18-26(4)22-32/h5-12,17-22H,13-16H2,1-4H3,(H2,36,37,38,39,40)/b43-41+,44-42+
InChIKeyYTUNAHYFSCHUQN-CHQNLTHESA-N
XLogP9.26
TPSA124.64 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500612.74
LogP ≤ 59.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-N,4-N-bis[4-[(3,5-dimethylphenyl)diazenyl]phenyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine with MolForge

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

Launch Full Analysis

Related Compounds

2-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80751542
2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580364
2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580405
2-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 39847761
2-N-(3-chloro-4-methylphenyl)-4-N-(4-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580181
6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine
CID 10074710
2-N-(3,4-dimethylphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580298
4-N-(4-methylphenyl)-6-morpholin-4-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine
CID 153389162
4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine;hydrochloride
CID 18580222
2-N,4-N-bis(2,4-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 16955713
4-N-[4-[[4-[[4-(3,5-dimethylanilino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]phenyl]-2-N-(3,5-dimethylphenyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 102307503
2-N-(4-chlorophenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 42477743

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[4-[(3,5-dimethylphenyl)diazenyl]phenyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis[4-[(3,5-dimethylphenyl)diazenyl]phenyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 20762407) is 2-N,4-N-bis[4-[(3,5-dimethylphenyl)diazenyl]phenyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis[4-[(3,5-dimethylphenyl)diazenyl]phenyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis[4-[(3,5-dimethylphenyl)diazenyl]phenyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is Cc1cc(C)cc(/N=N/c2ccc(Nc3nc(Nc4ccc(/N=N/c5cc(C)cc(C)c5)cc4)nc(N4CCOCC4)n3)cc2)c1.
What is the InChIKey of 2-N,4-N-bis[4-[(3,5-dimethylphenyl)diazenyl]phenyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is YTUNAHYFSCHUQN-CHQNLTHESA-N. The full InChI is InChI=1S/C35H36N10O/c1-23-17-24(2)20-31(19-23)43-41-29-9-5-27(6-10-29)36-33-38-34(40-35(39-33)45-13-15-46-16-14-45)37-28-7-11-30(12-8-28)42-44-32-21-25(3)18-26(4)22-32/h5-12,17-22H,13-16H2,1-4H3,(H2,36,37,38,39,40)/b43-41+,44-42+.
What are the key properties of 2-N,4-N-bis[4-[(3,5-dimethylphenyl)diazenyl]phenyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis[4-[(3,5-dimethylphenyl)diazenyl]phenyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 612.74 g/mol, XLogP of 9.26, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis[4-[(3,5-dimethylphenyl)diazenyl]phenyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 20762407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).