6-N-[5-(dimethylamino)pentyl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine

C26H35F2N7 — CID 56647584

IUPAC6-N-[5-(dimethylamino)pentyl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)CCCCCNc1nc(NCCc2ccc(F)cc2)nc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C26H35F2N7/c1-35(2)19-5-3-4-16-29-24-32-25(30-17-14-20-6-10-22(27)11-7-20)34-26(33-24)31-18-15-21-8-12-23(28)13-9-21/h6-13H,3-5,14-19H2,1-2H3,(H3,29,30,31,32,33,34)
InChIKeyRCDIYNLTUXFQRC-UHFFFAOYSA-N
MW483.61 g/mol
LogP4.60
Rot. Bonds15

About 6-N-[5-(dimethylamino)pentyl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine

6-N-[5-(dimethylamino)pentyl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 56647584) has the molecular formula C26H35F2N7 and a molecular weight of 483.61 g/mol. Its IUPAC name is 6-N-[5-(dimethylamino)pentyl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[5-(dimethylamino)pentyl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID56647584
Molecular FormulaC26H35F2N7
Molecular Weight483.61 g/mol
Exact Mass483.29
IUPAC Name6-N-[5-(dimethylamino)pentyl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)CCCCCNc1nc(NCCc2ccc(F)cc2)nc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C26H35F2N7/c1-35(2)19-5-3-4-16-29-24-32-25(30-17-14-20-6-10-22(27)11-7-20)34-26(33-24)31-18-15-21-8-12-23(28)13-9-21/h6-13H,3-5,14-19H2,1-2H3,(H3,29,30,31,32,33,34)
InChIKeyRCDIYNLTUXFQRC-UHFFFAOYSA-N
XLogP4.60
TPSA78.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 6-N-[5-(dimethylamino)pentyl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-[5-(dimethylamino)pentyl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine (CID 56647584) is 6-N-[5-(dimethylamino)pentyl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[5-(dimethylamino)pentyl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[5-(dimethylamino)pentyl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine is CN(C)CCCCCNc1nc(NCCc2ccc(F)cc2)nc(NCCc2ccc(F)cc2)n1.
What is the InChIKey of 6-N-[5-(dimethylamino)pentyl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is RCDIYNLTUXFQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35F2N7/c1-35(2)19-5-3-4-16-29-24-32-25(30-17-14-20-6-10-22(27)11-7-20)34-26(33-24)31-18-15-21-8-12-23(28)13-9-21/h6-13H,3-5,14-19H2,1-2H3,(H3,29,30,31,32,33,34).
What are the key properties of 6-N-[5-(dimethylamino)pentyl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine?
6-N-[5-(dimethylamino)pentyl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 483.61 g/mol, XLogP of 4.60, 15 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[5-(dimethylamino)pentyl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 56647584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).