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

C20H37N7O3 — CID 23872952

IUPAC4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCC1CCC(Nc2nc(NCCOCCOCCN)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C20H37N7O3/c1-16-2-4-17(5-3-16)23-19-24-18(22-7-11-29-15-14-28-10-6-21)25-20(26-19)27-8-12-30-13-9-27/h16-17H,2-15,21H2,1H3,(H2,22,23,24,25,26)
InChIKeyOJMGJOHCQYOGFO-UHFFFAOYSA-N
MW423.56 g/mol
LogP1.10
Rot. Bonds12

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

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 23872952) has the molecular formula C20H37N7O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID23872952
Molecular FormulaC20H37N7O3
Molecular Weight423.56 g/mol
Exact Mass423.30
IUPAC Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCC1CCC(Nc2nc(NCCOCCOCCN)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C20H37N7O3/c1-16-2-4-17(5-3-16)23-19-24-18(22-7-11-29-15-14-28-10-6-21)25-20(26-19)27-8-12-30-13-9-27/h16-17H,2-15,21H2,1H3,(H2,22,23,24,25,26)
InChIKeyOJMGJOHCQYOGFO-UHFFFAOYSA-N
XLogP1.10
TPSA119.68 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-morpholin-4-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-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 23872952) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-morpholin-4-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-morpholin-4-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-morpholin-4-yl-1,3,5-triazine-2,4-diamine is CC1CCC(Nc2nc(NCCOCCOCCN)nc(N3CCOCC3)n2)CC1.
What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is OJMGJOHCQYOGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N7O3/c1-16-2-4-17(5-3-16)23-19-24-18(22-7-11-29-15-14-28-10-6-21)25-20(26-19)27-8-12-30-13-9-27/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-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 423.56 g/mol, XLogP of 1.10, 12 rotatable bonds, 3 hydrogen bond donors, and 10 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-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23872952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).