2-N,2-N-diethyl-6-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine

C26H30N8O — CID 117086792

IUPAC2-N,2-N-diethyl-6-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(Nc2ccc(N3CCOCC3)cc2)nc(Nc2ccc3ncccc3c2)n1
InChIInChI=1S/C26H30N8O/c1-3-33(4-2)26-31-24(28-20-7-10-22(11-8-20)34-14-16-35-17-15-34)30-25(32-26)29-21-9-12-23-19(18-21)6-5-13-27-23/h5-13,18H,3-4,14-17H2,1-2H3,(H2,28,29,30,31,32)
InChIKeyOEXDPSCHBFUREG-UHFFFAOYSA-N
MW470.58 g/mol
LogP4.59
Rot. Bonds8

About 2-N,2-N-diethyl-6-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine

2-N,2-N-diethyl-6-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine (PubChem CID 117086792) has the molecular formula C26H30N8O and a molecular weight of 470.58 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine
PubChem CID117086792
Molecular FormulaC26H30N8O
Molecular Weight470.58 g/mol
Exact Mass470.25
IUPAC Name2-N,2-N-diethyl-6-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(Nc2ccc(N3CCOCC3)cc2)nc(Nc2ccc3ncccc3c2)n1
InChIInChI=1S/C26H30N8O/c1-3-33(4-2)26-31-24(28-20-7-10-22(11-8-20)34-14-16-35-17-15-34)30-25(32-26)29-21-9-12-23-19(18-21)6-5-13-27-23/h5-13,18H,3-4,14-17H2,1-2H3,(H2,28,29,30,31,32)
InChIKeyOEXDPSCHBFUREG-UHFFFAOYSA-N
XLogP4.59
TPSA91.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-N,2-N-diethyl-6-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-6-yl-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

Related Compounds

2-N,2-N-diethyl-6-N-(4-imidazol-1-ylphenyl)-4-N-(4-morpholin-4-ylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 117088512
2-[[4-(diethylamino)-6-(4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol
CID 117093688
4-N-(3,4-dimethylphenyl)-6-morpholin-4-yl-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine
CID 42477763
4-N-(1-benzylpiperidin-4-yl)-2-N,2-N-diethyl-6-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine
CID 117088890
4-N,4-N-diethyl-1-N-(4-morpholin-4-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 112886496
6-benzyl-4-morpholin-4-yl-N-quinolin-6-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 10297777
4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 123331778
2-N,2-N-diethyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112899225
6-[4-(diethylamino)quinazolin-6-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 68878121
4-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)aniline
CID 63180269
N-(4,6-dihydrazinylpyrimidin-2-yl)quinolin-6-amine
CID 139976319
N-[4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]pyrimidin-2-amine
CID 141441950

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-6-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-diethyl-6-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine (CID 117086792) is 2-N,2-N-diethyl-6-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-diethyl-6-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-diethyl-6-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(Nc2ccc(N3CCOCC3)cc2)nc(Nc2ccc3ncccc3c2)n1.
What is the InChIKey of 2-N,2-N-diethyl-6-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is OEXDPSCHBFUREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O/c1-3-33(4-2)26-31-24(28-20-7-10-22(11-8-20)34-14-16-35-17-15-34)30-25(32-26)29-21-9-12-23-19(18-21)6-5-13-27-23/h5-13,18H,3-4,14-17H2,1-2H3,(H2,28,29,30,31,32).
What are the key properties of 2-N,2-N-diethyl-6-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-diethyl-6-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 470.58 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-6-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 117086792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).