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

C20H37N7O2 — CID 23787572

IUPAC4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCC1CCC(Nc2nc(NCCOCCOCCN)nc(N3CCCC3)n2)CC1
InChIInChI=1S/C20H37N7O2/c1-16-4-6-17(7-5-16)23-19-24-18(22-9-13-29-15-14-28-12-8-21)25-20(26-19)27-10-2-3-11-27/h16-17H,2-15,21H2,1H3,(H2,22,23,24,25,26)
InChIKeyULBILHNNJXCOMM-UHFFFAOYSA-N
MW407.56 g/mol
LogP1.87
Rot. Bonds12

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

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 23787572) has the molecular formula C20H37N7O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID23787572
Molecular FormulaC20H37N7O2
Molecular Weight407.56 g/mol
Exact Mass407.30
IUPAC Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCC1CCC(Nc2nc(NCCOCCOCCN)nc(N3CCCC3)n2)CC1
InChIInChI=1S/C20H37N7O2/c1-16-4-6-17(7-5-16)23-19-24-18(22-9-13-29-15-14-28-12-8-21)25-20(26-19)27-10-2-3-11-27/h16-17H,2-15,21H2,1H3,(H2,22,23,24,25,26)
InChIKeyULBILHNNJXCOMM-UHFFFAOYSA-N
XLogP1.87
TPSA110.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 51.87
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-pyrrolidin-1-yl-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

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 23787572) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-pyrrolidin-1-yl-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-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CC1CCC(Nc2nc(NCCOCCOCCN)nc(N3CCCC3)n2)CC1.
What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is ULBILHNNJXCOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N7O2/c1-16-4-6-17(7-5-16)23-19-24-18(22-9-13-29-15-14-28-12-8-21)25-20(26-19)27-10-2-3-11-27/h16-17H,2-15,21H2,1H3,(H2,22,23,24,25,26).
What are the key properties of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 407.56 g/mol, XLogP of 1.87, 12 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-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23787572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).