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

C24H31F2N7 — CID 56646927

IUPAC6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(3-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)CCCNc1nc(NCCc2cccc(F)c2)nc(NCCc2cccc(F)c2)n1
InChIInChI=1S/C24H31F2N7/c1-33(2)15-5-12-27-22-30-23(28-13-10-18-6-3-8-20(25)16-18)32-24(31-22)29-14-11-19-7-4-9-21(26)17-19/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H3,27,28,29,30,31,32)
InChIKeyIACBZFUKAMSSMP-UHFFFAOYSA-N
MW455.56 g/mol
LogP3.82
Rot. Bonds13

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

6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(3-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 56646927) has the molecular formula C24H31F2N7 and a molecular weight of 455.56 g/mol. Its IUPAC name is 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(3-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(3-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID56646927
Molecular FormulaC24H31F2N7
Molecular Weight455.56 g/mol
Exact Mass455.26
IUPAC Name6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(3-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)CCCNc1nc(NCCc2cccc(F)c2)nc(NCCc2cccc(F)c2)n1
InChIInChI=1S/C24H31F2N7/c1-33(2)15-5-12-27-22-30-23(28-13-10-18-6-3-8-20(25)16-18)32-24(31-22)29-14-11-19-7-4-9-21(26)17-19/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H3,27,28,29,30,31,32)
InChIKeyIACBZFUKAMSSMP-UHFFFAOYSA-N
XLogP3.82
TPSA78.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.82
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-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(3-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(3-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine (CID 56646927) is 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(3-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(3-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(3-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine is CN(C)CCCNc1nc(NCCc2cccc(F)c2)nc(NCCc2cccc(F)c2)n1.
What is the InChIKey of 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(3-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is IACBZFUKAMSSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F2N7/c1-33(2)15-5-12-27-22-30-23(28-13-10-18-6-3-8-20(25)16-18)32-24(31-22)29-14-11-19-7-4-9-21(26)17-19/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H3,27,28,29,30,31,32).
What are the key properties of 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(3-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine?
6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(3-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 455.56 g/mol, XLogP of 3.82, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(3-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 56646927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).