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

C11H19FN6O — CID 58907703

IUPACN-[6-[(4-amino-6-fluoro-1,3,5-triazin-2-yl)amino]hexyl]acetamide
SMILESCC(=O)NCCCCCCNc1nc(N)nc(F)n1
InChIInChI=1S/C11H19FN6O/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)(H3,13,15,16,17,18)
InChIKeyRGROKJXUHIOAOY-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.70
Rot. Bonds8

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

N-[6-[(4-amino-6-fluoro-1,3,5-triazin-2-yl)amino]hexyl]acetamide (PubChem CID 58907703) has the molecular formula C11H19FN6O and a molecular weight of 270.31 g/mol. Its IUPAC name is N-[6-[(4-amino-6-fluoro-1,3,5-triazin-2-yl)amino]hexyl]acetamide.

Molecular Properties

Compound NameN-[6-[(4-amino-6-fluoro-1,3,5-triazin-2-yl)amino]hexyl]acetamide
PubChem CID58907703
Molecular FormulaC11H19FN6O
Molecular Weight270.31 g/mol
Exact Mass270.16
IUPAC NameN-[6-[(4-amino-6-fluoro-1,3,5-triazin-2-yl)amino]hexyl]acetamide
SMILESCC(=O)NCCCCCCNc1nc(N)nc(F)n1
InChIInChI=1S/C11H19FN6O/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)(H3,13,15,16,17,18)
InChIKeyRGROKJXUHIOAOY-UHFFFAOYSA-N
XLogP0.70
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-amino-6-fluoro-1,3,5-triazin-2-yl)amino]hexyl]acetamide?
The IUPAC name of N-[6-[(4-amino-6-fluoro-1,3,5-triazin-2-yl)amino]hexyl]acetamide (CID 58907703) is N-[6-[(4-amino-6-fluoro-1,3,5-triazin-2-yl)amino]hexyl]acetamide.
What is the SMILES notation for N-[6-[(4-amino-6-fluoro-1,3,5-triazin-2-yl)amino]hexyl]acetamide?
The canonical SMILES for N-[6-[(4-amino-6-fluoro-1,3,5-triazin-2-yl)amino]hexyl]acetamide is CC(=O)NCCCCCCNc1nc(N)nc(F)n1.
What is the InChIKey of N-[6-[(4-amino-6-fluoro-1,3,5-triazin-2-yl)amino]hexyl]acetamide?
The InChIKey is RGROKJXUHIOAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN6O/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)(H3,13,15,16,17,18).
What are the key properties of N-[6-[(4-amino-6-fluoro-1,3,5-triazin-2-yl)amino]hexyl]acetamide?
N-[6-[(4-amino-6-fluoro-1,3,5-triazin-2-yl)amino]hexyl]acetamide has a molecular weight of 270.31 g/mol, XLogP of 0.70, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-amino-6-fluoro-1,3,5-triazin-2-yl)amino]hexyl]acetamide is sourced from PubChem (CID 58907703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).