4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-phenoxy-1,3,5-triazine-2,4-diamine

C22H34N6O3 — CID 23901103

IUPAC4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-phenoxy-1,3,5-triazine-2,4-diamine
SMILESCC1CCC(Nc2nc(NCCOCCOCCN)nc(Oc3ccccc3)n2)CC1
InChIInChI=1S/C22H34N6O3/c1-17-7-9-18(10-8-17)25-21-26-20(24-12-14-30-16-15-29-13-11-23)27-22(28-21)31-19-5-3-2-4-6-19/h2-6,17-18H,7-16,23H2,1H3,(H2,24,25,26,27,28)
InChIKeyVEXJMMLMYMSXQI-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.06
Rot. Bonds13

About 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-phenoxy-1,3,5-triazine-2,4-diamine

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-phenoxy-1,3,5-triazine-2,4-diamine (PubChem CID 23901103) has the molecular formula C22H34N6O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-phenoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-phenoxy-1,3,5-triazine-2,4-diamine
PubChem CID23901103
Molecular FormulaC22H34N6O3
Molecular Weight430.55 g/mol
Exact Mass430.27
IUPAC Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-phenoxy-1,3,5-triazine-2,4-diamine
SMILESCC1CCC(Nc2nc(NCCOCCOCCN)nc(Oc3ccccc3)n2)CC1
InChIInChI=1S/C22H34N6O3/c1-17-7-9-18(10-8-17)25-21-26-20(24-12-14-30-16-15-29-13-11-23)27-22(28-21)31-19-5-3-2-4-6-19/h2-6,17-18H,7-16,23H2,1H3,(H2,24,25,26,27,28)
InChIKeyVEXJMMLMYMSXQI-UHFFFAOYSA-N
XLogP3.06
TPSA116.44 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-phenoxy-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-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 23816247
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 23787672
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclopropyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 23872955
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-[(4-chlorophenyl)methyl]-2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine
CID 23816348
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-N-(2-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 23845134
2-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 23844912
3-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 23758189
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine
CID 23928705
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-4-N-(3,3-diphenylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 23984657
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-[(4-methylphenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 23984724
N-[2-[2-[2-[[4,6-bis(cyclopentylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide
CID 23787516
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-[[4-(cyclopentylamino)-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]amino]benzamide
CID 23900838

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-phenoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-phenoxy-1,3,5-triazine-2,4-diamine (CID 23901103) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-phenoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-phenoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-phenoxy-1,3,5-triazine-2,4-diamine is CC1CCC(Nc2nc(NCCOCCOCCN)nc(Oc3ccccc3)n2)CC1.
What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-phenoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is VEXJMMLMYMSXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6O3/c1-17-7-9-18(10-8-17)25-21-26-20(24-12-14-30-16-15-29-13-11-23)27-22(28-21)31-19-5-3-2-4-6-19/h2-6,17-18H,7-16,23H2,1H3,(H2,24,25,26,27,28).
What are the key properties of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-phenoxy-1,3,5-triazine-2,4-diamine?
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-phenoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 430.55 g/mol, XLogP of 3.06, 13 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-phenoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23901103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).