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

C10H15F2N5O — CID 67740795

IUPACN-[5-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]pentyl]acetamide
SMILESCC(=O)NCCCCCNc1nc(F)nc(F)n1
InChIInChI=1S/C10H15F2N5O/c1-7(18)13-5-3-2-4-6-14-10-16-8(11)15-9(12)17-10/h2-6H2,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyQTURFNBWPQNGAT-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.87
Rot. Bonds7

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

N-[5-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]pentyl]acetamide (PubChem CID 67740795) has the molecular formula C10H15F2N5O and a molecular weight of 259.26 g/mol. Its IUPAC name is N-[5-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]pentyl]acetamide.

Molecular Properties

Compound NameN-[5-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]pentyl]acetamide
PubChem CID67740795
Molecular FormulaC10H15F2N5O
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC NameN-[5-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]pentyl]acetamide
SMILESCC(=O)NCCCCCNc1nc(F)nc(F)n1
InChIInChI=1S/C10H15F2N5O/c1-7(18)13-5-3-2-4-6-14-10-16-8(11)15-9(12)17-10/h2-6H2,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyQTURFNBWPQNGAT-UHFFFAOYSA-N
XLogP0.87
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.87
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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Related Compounds

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CID 13627983
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CID 19909970
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CID 157455900
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CID 159920611
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CID 170151658
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CID 80775623
CID 80775623

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]pentyl]acetamide?
The IUPAC name of N-[5-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]pentyl]acetamide (CID 67740795) is N-[5-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]pentyl]acetamide.
What is the SMILES notation for N-[5-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]pentyl]acetamide?
The canonical SMILES for N-[5-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]pentyl]acetamide is CC(=O)NCCCCCNc1nc(F)nc(F)n1.
What is the InChIKey of N-[5-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]pentyl]acetamide?
The InChIKey is QTURFNBWPQNGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N5O/c1-7(18)13-5-3-2-4-6-14-10-16-8(11)15-9(12)17-10/h2-6H2,1H3,(H,13,18)(H,14,15,16,17).
What are the key properties of N-[5-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]pentyl]acetamide?
N-[5-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]pentyl]acetamide has a molecular weight of 259.26 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]pentyl]acetamide is sourced from PubChem (CID 67740795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).