N-[6-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]hexyl]acetamide

C11H17F2N5O — CID 59718465

IUPACN-[6-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]hexyl]acetamide
SMILESCC(=O)NCCCCCCNc1nc(F)nc(F)n1
InChIInChI=1S/C11H17F2N5O/c1-8(19)14-6-4-2-3-5-7-15-11-17-9(12)16-10(13)18-11/h2-7H2,1H3,(H,14,19)(H,15,16,17,18)
InChIKeyUVWOJLHFHQSQTH-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.26
Rot. Bonds8

About N-[6-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]hexyl]acetamide

N-[6-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]hexyl]acetamide (PubChem CID 59718465) has the molecular formula C11H17F2N5O and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[6-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]hexyl]acetamide.

Molecular Properties

Compound NameN-[6-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]hexyl]acetamide
PubChem CID59718465
Molecular FormulaC11H17F2N5O
Molecular Weight273.29 g/mol
Exact Mass273.14
IUPAC NameN-[6-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]hexyl]acetamide
SMILESCC(=O)NCCCCCCNc1nc(F)nc(F)n1
InChIInChI=1S/C11H17F2N5O/c1-8(19)14-6-4-2-3-5-7-15-11-17-9(12)16-10(13)18-11/h2-7H2,1H3,(H,14,19)(H,15,16,17,18)
InChIKeyUVWOJLHFHQSQTH-UHFFFAOYSA-N
XLogP1.26
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.26
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-[6-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]hexyl]acetamide?
The IUPAC name of N-[6-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]hexyl]acetamide (CID 59718465) is N-[6-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]hexyl]acetamide.
What is the SMILES notation for N-[6-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]hexyl]acetamide?
The canonical SMILES for N-[6-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]hexyl]acetamide is CC(=O)NCCCCCCNc1nc(F)nc(F)n1.
What is the InChIKey of N-[6-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]hexyl]acetamide?
The InChIKey is UVWOJLHFHQSQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N5O/c1-8(19)14-6-4-2-3-5-7-15-11-17-9(12)16-10(13)18-11/h2-7H2,1H3,(H,14,19)(H,15,16,17,18).
What are the key properties of N-[6-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]hexyl]acetamide?
N-[6-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]hexyl]acetamide has a molecular weight of 273.29 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]hexyl]acetamide is sourced from PubChem (CID 59718465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).