4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-propan-2-yloxy-2-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,5-triazine-2,4-diamine

C20H29F3N6O4 — CID 23845181

About 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-propan-2-yloxy-2-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,5-triazine-2,4-diamine

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-propan-2-yloxy-2-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 23845181) has the molecular formula C20H29F3N6O4 and a molecular weight of 474.48 g/mol. Its IUPAC name is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-propan-2-yloxy-2-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-propan-2-yloxy-2-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 23845181
• Molecular Formula: C20H29F3N6O4
• Molecular Weight: 474.48 g/mol
• Exact Mass: 474.22
• IUPAC Name: 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-propan-2-yloxy-2-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,5-triazine-2,4-diamine
• SMILES: CC(C)Oc1nc(NCCOCCOCCN)nc(NCc2ccc(OC(F)(F)F)cc2)n1
• InChI: InChI=1S/C20H29F3N6O4/c1-14(2)32-19-28-17(25-8-10-31-12-11-30-9-7-24)27-18(29-19)26-13-15-3-5-16(6-4-15)33-20(21,22)23/h3-6,14H,7-13,24H2,1-2H3,(H2,25,26,27,28,29)
• InChIKey: JFKKAIGCVXOFMA-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 125.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.48
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-propan-2-yloxy-2-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-propan-2-yloxy-2-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,5-triazine-2,4-diamine (CID 23845181) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-propan-2-yloxy-2-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-propan-2-yloxy-2-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-propan-2-yloxy-2-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,5-triazine-2,4-diamine is CC(C)Oc1nc(NCCOCCOCCN)nc(NCc2ccc(OC(F)(F)F)cc2)n1.

What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-propan-2-yloxy-2-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,5-triazine-2,4-diamine?

The InChIKey is JFKKAIGCVXOFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F3N6O4/c1-14(2)32-19-28-17(25-8-10-31-12-11-30-9-7-24)27-18(29-19)26-13-15-3-5-16(6-4-15)33-20(21,22)23/h3-6,14H,7-13,24H2,1-2H3,(H2,25,26,27,28,29).

What are the key properties of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-propan-2-yloxy-2-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,5-triazine-2,4-diamine?

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-propan-2-yloxy-2-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 474.48 g/mol, XLogP of 2.57, 15 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]-6-propan-2-yloxy-2-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23845181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).