N'-[4,6-bis(3-fluorophenyl)-1,3,5-triazin-2-yl]pentane-1,5-diamine

C20H21F2N5 — CID 46232292

IUPACN'-[4,6-bis(3-fluorophenyl)-1,3,5-triazin-2-yl]pentane-1,5-diamine
SMILESNCCCCCNc1nc(-c2cccc(F)c2)nc(-c2cccc(F)c2)n1
InChIInChI=1S/C20H21F2N5/c21-16-8-4-6-14(12-16)18-25-19(15-7-5-9-17(22)13-15)27-20(26-18)24-11-3-1-2-10-23/h4-9,12-13H,1-3,10-11,23H2,(H,24,25,26,27)
InChIKeyIBUUPMSFQAYNFN-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.02
Rot. Bonds8

About N'-[4,6-bis(3-fluorophenyl)-1,3,5-triazin-2-yl]pentane-1,5-diamine

N'-[4,6-bis(3-fluorophenyl)-1,3,5-triazin-2-yl]pentane-1,5-diamine (PubChem CID 46232292) has the molecular formula C20H21F2N5 and a molecular weight of 369.42 g/mol. Its IUPAC name is N'-[4,6-bis(3-fluorophenyl)-1,3,5-triazin-2-yl]pentane-1,5-diamine.

Molecular Properties

Compound NameN'-[4,6-bis(3-fluorophenyl)-1,3,5-triazin-2-yl]pentane-1,5-diamine
PubChem CID46232292
Molecular FormulaC20H21F2N5
Molecular Weight369.42 g/mol
Exact Mass369.18
IUPAC NameN'-[4,6-bis(3-fluorophenyl)-1,3,5-triazin-2-yl]pentane-1,5-diamine
SMILESNCCCCCNc1nc(-c2cccc(F)c2)nc(-c2cccc(F)c2)n1
InChIInChI=1S/C20H21F2N5/c21-16-8-4-6-14(12-16)18-25-19(15-7-5-9-17(22)13-15)27-20(26-18)24-11-3-1-2-10-23/h4-9,12-13H,1-3,10-11,23H2,(H,24,25,26,27)
InChIKeyIBUUPMSFQAYNFN-UHFFFAOYSA-N
XLogP4.02
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N'-[4,6-bis(3-fluorophenyl)-1,3,5-triazin-2-yl]pentane-1,5-diamine?
The IUPAC name of N'-[4,6-bis(3-fluorophenyl)-1,3,5-triazin-2-yl]pentane-1,5-diamine (CID 46232292) is N'-[4,6-bis(3-fluorophenyl)-1,3,5-triazin-2-yl]pentane-1,5-diamine.
What is the SMILES notation for N'-[4,6-bis(3-fluorophenyl)-1,3,5-triazin-2-yl]pentane-1,5-diamine?
The canonical SMILES for N'-[4,6-bis(3-fluorophenyl)-1,3,5-triazin-2-yl]pentane-1,5-diamine is NCCCCCNc1nc(-c2cccc(F)c2)nc(-c2cccc(F)c2)n1.
What is the InChIKey of N'-[4,6-bis(3-fluorophenyl)-1,3,5-triazin-2-yl]pentane-1,5-diamine?
The InChIKey is IBUUPMSFQAYNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5/c21-16-8-4-6-14(12-16)18-25-19(15-7-5-9-17(22)13-15)27-20(26-18)24-11-3-1-2-10-23/h4-9,12-13H,1-3,10-11,23H2,(H,24,25,26,27).
What are the key properties of N'-[4,6-bis(3-fluorophenyl)-1,3,5-triazin-2-yl]pentane-1,5-diamine?
N'-[4,6-bis(3-fluorophenyl)-1,3,5-triazin-2-yl]pentane-1,5-diamine has a molecular weight of 369.42 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4,6-bis(3-fluorophenyl)-1,3,5-triazin-2-yl]pentane-1,5-diamine is sourced from PubChem (CID 46232292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).