2-N,2-N-diethyl-6-N-(2-phenoxyethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine

C21H26N6O — CID 117087560

IUPAC2-N,2-N-diethyl-6-N-(2-phenoxyethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(NCCOc2ccccc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C21H26N6O/c1-3-27(4-2)21-25-19(22-15-16-28-18-13-9-6-10-14-18)24-20(26-21)23-17-11-7-5-8-12-17/h5-14H,3-4,15-16H2,1-2H3,(H2,22,23,24,25,26)
InChIKeyOBIIRKSEDCTZPN-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.95
Rot. Bonds10

About 2-N,2-N-diethyl-6-N-(2-phenoxyethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine

2-N,2-N-diethyl-6-N-(2-phenoxyethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 117087560) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-N-(2-phenoxyethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-N-(2-phenoxyethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
PubChem CID117087560
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name2-N,2-N-diethyl-6-N-(2-phenoxyethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(NCCOc2ccccc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C21H26N6O/c1-3-27(4-2)21-25-19(22-15-16-28-18-13-9-6-10-14-18)24-20(26-21)23-17-11-7-5-8-12-17/h5-14H,3-4,15-16H2,1-2H3,(H2,22,23,24,25,26)
InChIKeyOBIIRKSEDCTZPN-UHFFFAOYSA-N
XLogP3.95
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-N,2-N-diethyl-6-N-(2-phenoxyethyl)-4-N-phenyl-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

6-N-ethyl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 80768818
4-N-(2-phenoxyethyl)-2-N-phenylpyrimidine-2,4-diamine
CID 117083720
6-N-[5-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]pentyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 20775300
4-N,6-N-bis(2-aminoethyl)-2-N-phenyl-1,3,5-triazine-2,4,6-triamine;ethane
CID 145028947
2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-phenylpyrimidine-2,4-diamine
CID 112899527
2-N,2-N-diethyl-4-N-(2-methoxyethyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80766275
6-N-(2-phenoxyethyl)-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine
CID 117083902
2-[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]-1-phenylethanone
CID 3624588
3-N-[2-(4-methoxyphenoxy)ethyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112958741
4-N-(4-ethoxyphenyl)-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937737
6-chloro-2-N,2-N-diethyl-4-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 62868330
6-chloro-2-N,2-N-diethyl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 62870223

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-6-N-(2-phenoxyethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-diethyl-6-N-(2-phenoxyethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine (CID 117087560) is 2-N,2-N-diethyl-6-N-(2-phenoxyethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-diethyl-6-N-(2-phenoxyethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-diethyl-6-N-(2-phenoxyethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(NCCOc2ccccc2)nc(Nc2ccccc2)n1.
What is the InChIKey of 2-N,2-N-diethyl-6-N-(2-phenoxyethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is OBIIRKSEDCTZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-3-27(4-2)21-25-19(22-15-16-28-18-13-9-6-10-14-18)24-20(26-21)23-17-11-7-5-8-12-17/h5-14H,3-4,15-16H2,1-2H3,(H2,22,23,24,25,26).
What are the key properties of 2-N,2-N-diethyl-6-N-(2-phenoxyethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-diethyl-6-N-(2-phenoxyethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 378.48 g/mol, XLogP of 3.95, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-6-N-(2-phenoxyethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 117087560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).