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

C26H31N9O — CID 117088512

IUPAC2-N,2-N-diethyl-6-N-(4-imidazol-1-ylphenyl)-4-N-(4-morpholin-4-ylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(Nc2ccc(N3CCOCC3)cc2)nc(Nc2ccc(-n3ccnc3)cc2)n1
InChIInChI=1S/C26H31N9O/c1-3-33(4-2)26-31-24(28-20-5-9-22(10-6-20)34-15-17-36-18-16-34)30-25(32-26)29-21-7-11-23(12-8-21)35-14-13-27-19-35/h5-14,19H,3-4,15-18H2,1-2H3,(H2,28,29,30,31,32)
InChIKeyBUJASKIJUVUXOR-UHFFFAOYSA-N
MW485.60 g/mol
LogP4.23
Rot. Bonds9

About 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

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 (PubChem CID 117088512) has the molecular formula C26H31N9O and a molecular weight of 485.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-N-(4-imidazol-1-ylphenyl)-4-N-(4-morpholin-4-ylphenyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID117088512
Molecular FormulaC26H31N9O
Molecular Weight485.60 g/mol
Exact Mass485.27
IUPAC Name2-N,2-N-diethyl-6-N-(4-imidazol-1-ylphenyl)-4-N-(4-morpholin-4-ylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(Nc2ccc(N3CCOCC3)cc2)nc(Nc2ccc(-n3ccnc3)cc2)n1
InChIInChI=1S/C26H31N9O/c1-3-33(4-2)26-31-24(28-20-5-9-22(10-6-20)34-15-17-36-18-16-34)30-25(32-26)29-21-7-11-23(12-8-21)35-14-13-27-19-35/h5-14,19H,3-4,15-18H2,1-2H3,(H2,28,29,30,31,32)
InChIKeyBUJASKIJUVUXOR-UHFFFAOYSA-N
XLogP4.23
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.60
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-(diethylamino)-6-(4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol
CID 117093688
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
2-N-(4-imidazol-1-ylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 117083396
4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 123331778
4-N,4-N-diethyl-1-N-(4-morpholin-4-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 112886496
2-N,2-N-diethyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112899225
4-N-(4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80760537
4-imidazol-1-yl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 134383458
4-(3-bromo-4-imidazol-1-ylphenyl)morpholine
CID 172761496
N,4-dimethyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-2H-1,3-thiazol-3-amine
CID 67269625
1-[6-(4-imidazol-1-ylanilino)pyridazin-3-yl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 117087130
5-fluoro-4-imidazol-1-yl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 134383489

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(CC)c1nc(Nc2ccc(N3CCOCC3)cc2)nc(Nc2ccc(-n3ccnc3)cc2)n1.
What is the InChIKey of 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?
The InChIKey is BUJASKIJUVUXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N9O/c1-3-33(4-2)26-31-24(28-20-5-9-22(10-6-20)34-15-17-36-18-16-34)30-25(32-26)29-21-7-11-23(12-8-21)35-14-13-27-19-35/h5-14,19H,3-4,15-18H2,1-2H3,(H2,28,29,30,31,32).
What are the key properties of 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?
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 has a molecular weight of 485.60 g/mol, XLogP of 4.23, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 117088512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).