6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-[(2-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4,6-triamine

C22H28FN7O2 — CID 23901092

IUPAC6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-[(2-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4,6-triamine
SMILESNCCOCCOCCNc1nc(NCc2ccccc2F)nc(Nc2ccccc2)n1
InChIInChI=1S/C22H28FN7O2/c23-19-9-5-4-6-17(19)16-26-21-28-20(25-11-13-32-15-14-31-12-10-24)29-22(30-21)27-18-7-2-1-3-8-18/h1-9H,10-16,24H2,(H3,25,26,27,28,29,30)
InChIKeyARDLUFVQHGVTTC-UHFFFAOYSA-N
MW441.51 g/mol
LogP2.77
Rot. Bonds14

About 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-[(2-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4,6-triamine

6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-[(2-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 23901092) has the molecular formula C22H28FN7O2 and a molecular weight of 441.51 g/mol. Its IUPAC name is 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-[(2-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-[(2-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4,6-triamine
PubChem CID23901092
Molecular FormulaC22H28FN7O2
Molecular Weight441.51 g/mol
Exact Mass441.23
IUPAC Name6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-[(2-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4,6-triamine
SMILESNCCOCCOCCNc1nc(NCc2ccccc2F)nc(Nc2ccccc2)n1
InChIInChI=1S/C22H28FN7O2/c23-19-9-5-4-6-17(19)16-26-21-28-20(25-11-13-32-15-14-31-12-10-24)29-22(30-21)27-18-7-2-1-3-8-18/h1-9H,10-16,24H2,(H3,25,26,27,28,29,30)
InChIKeyARDLUFVQHGVTTC-UHFFFAOYSA-N
XLogP2.77
TPSA119.24 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 52.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

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
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-naphthalen-2-yl-4-N-[[2-(2-phenylethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine
CID 23901094
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(cyclohexylmethylamino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 23928795
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-(2-phenylethyl)-2-N-[[2-(2-phenylethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine
CID 23787613
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4,6-bis(benzylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 23956545
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-[(4-fluorophenyl)methylamino]-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 23872819
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[4-[2-[2-(2-benzamidoethoxy)ethoxy]ethylamino]-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]benzamide
CID 143583888
2-[[4-(3-aminoanilino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethanol
CID 11566868
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine
CID 23928705
4-N,6-N-bis(2-aminoethyl)-2-N-phenyl-1,3,5-triazine-2,4,6-triamine;ethane
CID 145028947
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[4-(benzylamino)-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]benzamide
CID 23816298
4-N-[(2-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112891132

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-[(2-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-[(2-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4,6-triamine (CID 23901092) is 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-[(2-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-[(2-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-[(2-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4,6-triamine is NCCOCCOCCNc1nc(NCc2ccccc2F)nc(Nc2ccccc2)n1.
What is the InChIKey of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-[(2-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is ARDLUFVQHGVTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN7O2/c23-19-9-5-4-6-17(19)16-26-21-28-20(25-11-13-32-15-14-31-12-10-24)29-22(30-21)27-18-7-2-1-3-8-18/h1-9H,10-16,24H2,(H3,25,26,27,28,29,30).
What are the key properties of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-[(2-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4,6-triamine?
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-[(2-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 441.51 g/mol, XLogP of 2.77, 14 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-[(2-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23901092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).