4-N-[2-(4-aminophenyl)ethyl]-6-N-ethyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-1,3,5-triazine-2,4,6-triamine

C18H25N9 — CID 171061588

IUPAC4-N-[2-(4-aminophenyl)ethyl]-6-N-ethyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCCc2ccc(N)cc2)nc(NCCc2cnc[nH]2)n1
InChIInChI=1S/C18H25N9/c1-2-21-16-25-17(22-9-7-13-3-5-14(19)6-4-13)27-18(26-16)23-10-8-15-11-20-12-24-15/h3-6,11-12H,2,7-10,19H2,1H3,(H,20,24)(H3,21,22,23,25,26,27)
InChIKeyMMEGPGDWLGYXRY-UHFFFAOYSA-N
MW367.46 g/mol
LogP1.92
Rot. Bonds10

About 4-N-[2-(4-aminophenyl)ethyl]-6-N-ethyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-1,3,5-triazine-2,4,6-triamine

4-N-[2-(4-aminophenyl)ethyl]-6-N-ethyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 171061588) has the molecular formula C18H25N9 and a molecular weight of 367.46 g/mol. Its IUPAC name is 4-N-[2-(4-aminophenyl)ethyl]-6-N-ethyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[2-(4-aminophenyl)ethyl]-6-N-ethyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID171061588
Molecular FormulaC18H25N9
Molecular Weight367.46 g/mol
Exact Mass367.22
IUPAC Name4-N-[2-(4-aminophenyl)ethyl]-6-N-ethyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCCc2ccc(N)cc2)nc(NCCc2cnc[nH]2)n1
InChIInChI=1S/C18H25N9/c1-2-21-16-25-17(22-9-7-13-3-5-14(19)6-4-13)27-18(26-16)23-10-8-15-11-20-12-24-15/h3-6,11-12H,2,7-10,19H2,1H3,(H,20,24)(H3,21,22,23,25,26,27)
InChIKeyMMEGPGDWLGYXRY-UHFFFAOYSA-N
XLogP1.92
TPSA129.46 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 51.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-N-[2-(4-aminophenyl)ethyl]-6-N-ethyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-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-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 65230866
4-[2-[[4-anilino-6-[4-[[[4-(3-anilinoanilino)-6-[2-(1H-imidazol-5-yl)ethylamino]-1,3,5-triazin-2-yl]amino]methyl]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 11457058
N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine
CID 11820597
1-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 115913761
1-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylbenzene-1,2-diamine
CID 65231042
6-chloro-2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,3-diamine
CID 115474252
4-ethyl-N-[3-(1H-imidazol-5-yl)propyl]aniline
CID 21193542
5-[2-(4-methoxyphenyl)ethyl]-1H-imidazole
CID 91318795
N-[2-(1H-imidazol-5-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112638009
5-[2-(4-propylphenoxy)ethyl]-1H-imidazole
CID 10376572
1-(4-butylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 65230971
N-(1H-imidazol-5-ylmethyl)-4-pentylaniline
CID 55109450

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-aminophenyl)ethyl]-6-N-ethyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[2-(4-aminophenyl)ethyl]-6-N-ethyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-1,3,5-triazine-2,4,6-triamine (CID 171061588) is 4-N-[2-(4-aminophenyl)ethyl]-6-N-ethyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[2-(4-aminophenyl)ethyl]-6-N-ethyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[2-(4-aminophenyl)ethyl]-6-N-ethyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-1,3,5-triazine-2,4,6-triamine is CCNc1nc(NCCc2ccc(N)cc2)nc(NCCc2cnc[nH]2)n1.
What is the InChIKey of 4-N-[2-(4-aminophenyl)ethyl]-6-N-ethyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is MMEGPGDWLGYXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N9/c1-2-21-16-25-17(22-9-7-13-3-5-14(19)6-4-13)27-18(26-16)23-10-8-15-11-20-12-24-15/h3-6,11-12H,2,7-10,19H2,1H3,(H,20,24)(H3,21,22,23,25,26,27).
What are the key properties of 4-N-[2-(4-aminophenyl)ethyl]-6-N-ethyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
4-N-[2-(4-aminophenyl)ethyl]-6-N-ethyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 367.46 g/mol, XLogP of 1.92, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-aminophenyl)ethyl]-6-N-ethyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 171061588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).