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

C20H31F5N10O2 — CID 159920611

IUPACN-(5-aminopentyl)acetamide;N-[5-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]pentyl]acetamide;2,4,6-trifluoro-1,3,5-triazine
SMILESCC(=O)NCCCCCN.CC(=O)NCCCCCNc1nc(F)nc(F)n1.Fc1nc(F)nc(F)n1
InChIInChI=1S/C10H15F2N5O.C7H16N2O.C3F3N3/c1-7(18)13-5-3-2-4-6-14-10-16-8(11)15-9(12)17-10;1-7(10)9-6-4-2-3-5-8;4-1-7-2(5)9-3(6)8-1/h2-6H2,1H3,(H,13,18)(H,14,15,16,17);2-6,8H2,1H3,(H,9,10);
InChIKeyNYIRESLCUQVBTK-UHFFFAOYSA-N
MW538.53 g/mol
LogP1.41
Rot. Bonds12

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

N-(5-aminopentyl)acetamide;N-[5-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]pentyl]acetamide;2,4,6-trifluoro-1,3,5-triazine (PubChem CID 159920611) has the molecular formula C20H31F5N10O2 and a molecular weight of 538.53 g/mol. Its IUPAC name is N-(5-aminopentyl)acetamide;N-[5-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]pentyl]acetamide;2,4,6-trifluoro-1,3,5-triazine.

Molecular Properties

Compound NameN-(5-aminopentyl)acetamide;N-[5-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]pentyl]acetamide;2,4,6-trifluoro-1,3,5-triazine
PubChem CID159920611
Molecular FormulaC20H31F5N10O2
Molecular Weight538.53 g/mol
Exact Mass538.26
IUPAC NameN-(5-aminopentyl)acetamide;N-[5-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]pentyl]acetamide;2,4,6-trifluoro-1,3,5-triazine
SMILESCC(=O)NCCCCCN.CC(=O)NCCCCCNc1nc(F)nc(F)n1.Fc1nc(F)nc(F)n1
InChIInChI=1S/C10H15F2N5O.C7H16N2O.C3F3N3/c1-7(18)13-5-3-2-4-6-14-10-16-8(11)15-9(12)17-10;1-7(10)9-6-4-2-3-5-8;4-1-7-2(5)9-3(6)8-1/h2-6H2,1H3,(H,13,18)(H,14,15,16,17);2-6,8H2,1H3,(H,9,10);
InChIKeyNYIRESLCUQVBTK-UHFFFAOYSA-N
XLogP1.41
TPSA173.59 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.53
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(5-aminopentyl)acetamide;N-[5-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]pentyl]acetamide;2,4,6-trifluoro-1,3,5-triazine with MolForge

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Related Compounds

N-[6-[(4-amino-6-fluoro-1,3,5-triazin-2-yl)amino]hexyl]acetamide
CID 58907703
N-[6-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]hexyl]acetamide
CID 59718465
N-[5-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]pentyl]acetamide
CID 67740795
N-[6-[[4,6-bis(6-acetamidohexylamino)-1,3,5-triazin-2-yl]amino]hexyl]acetamide
CID 13627981
N-[6-[[4-(6-acetamidohexylamino)-6-amino-1,3,5-triazin-2-yl]amino]hexyl]acetamide
CID 13627982
N-butylacetamide;ethane;N-pentylacetamide;bis(1,3,5-triazine)
CID 91037206
N-[6-[(4-amino-6-fluoro-1,3,5-triazin-2-yl)amino]hexyl]acetamide;N-(6-aminohexyl)acetamide;2,4,6-trifluoro-1,3,5-triazine
CID 157317544
N-(6-aminohexyl)acetamide;N-[6-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]hexyl]acetamide;2,4,6-trifluoro-1,3,5-triazine
CID 158921466
N-(5-aminopentyl)acetamide;4,6-difluoro-1,3,5-triazin-2-amine;N-pentylacetamide;2,4,6-trifluoro-1,3,5-triazine
CID 161643442

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)acetamide;N-[5-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]pentyl]acetamide;2,4,6-trifluoro-1,3,5-triazine?
The IUPAC name of N-(5-aminopentyl)acetamide;N-[5-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]pentyl]acetamide;2,4,6-trifluoro-1,3,5-triazine (CID 159920611) is N-(5-aminopentyl)acetamide;N-[5-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]pentyl]acetamide;2,4,6-trifluoro-1,3,5-triazine.
What is the SMILES notation for N-(5-aminopentyl)acetamide;N-[5-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]pentyl]acetamide;2,4,6-trifluoro-1,3,5-triazine?
The canonical SMILES for N-(5-aminopentyl)acetamide;N-[5-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]pentyl]acetamide;2,4,6-trifluoro-1,3,5-triazine is CC(=O)NCCCCCN.CC(=O)NCCCCCNc1nc(F)nc(F)n1.Fc1nc(F)nc(F)n1.
What is the InChIKey of N-(5-aminopentyl)acetamide;N-[5-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]pentyl]acetamide;2,4,6-trifluoro-1,3,5-triazine?
The InChIKey is NYIRESLCUQVBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N5O.C7H16N2O.C3F3N3/c1-7(18)13-5-3-2-4-6-14-10-16-8(11)15-9(12)17-10;1-7(10)9-6-4-2-3-5-8;4-1-7-2(5)9-3(6)8-1/h2-6H2,1H3,(H,13,18)(H,14,15,16,17);2-6,8H2,1H3,(H,9,10);.
What are the key properties of N-(5-aminopentyl)acetamide;N-[5-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]pentyl]acetamide;2,4,6-trifluoro-1,3,5-triazine?
N-(5-aminopentyl)acetamide;N-[5-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]pentyl]acetamide;2,4,6-trifluoro-1,3,5-triazine has a molecular weight of 538.53 g/mol, XLogP of 1.41, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)acetamide;N-[5-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]pentyl]acetamide;2,4,6-trifluoro-1,3,5-triazine is sourced from PubChem (CID 159920611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).