5-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]pentanamide

C13H25N7O — CID 106241626

IUPAC5-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]pentanamide
SMILESCCN(CC)c1nc(NC)nc(NCCCCC(N)=O)n1
InChIInChI=1S/C13H25N7O/c1-4-20(5-2)13-18-11(15-3)17-12(19-13)16-9-7-6-8-10(14)21/h4-9H2,1-3H3,(H2,14,21)(H2,15,16,17,18,19)
InChIKeyATUDINKRFLBAJL-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.83
Rot. Bonds10

About 5-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]pentanamide

5-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]pentanamide (PubChem CID 106241626) has the molecular formula C13H25N7O and a molecular weight of 295.39 g/mol. Its IUPAC name is 5-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]pentanamide.

Molecular Properties

Compound Name5-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]pentanamide
PubChem CID106241626
Molecular FormulaC13H25N7O
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC Name5-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]pentanamide
SMILESCCN(CC)c1nc(NC)nc(NCCCCC(N)=O)n1
InChIInChI=1S/C13H25N7O/c1-4-20(5-2)13-18-11(15-3)17-12(19-13)16-9-7-6-8-10(14)21/h4-9H2,1-3H3,(H2,14,21)(H2,15,16,17,18,19)
InChIKeyATUDINKRFLBAJL-UHFFFAOYSA-N
XLogP0.83
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 5-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]pentanamide?
The IUPAC name of 5-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]pentanamide (CID 106241626) is 5-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]pentanamide.
What is the SMILES notation for 5-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]pentanamide?
The canonical SMILES for 5-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]pentanamide is CCN(CC)c1nc(NC)nc(NCCCCC(N)=O)n1.
What is the InChIKey of 5-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]pentanamide?
The InChIKey is ATUDINKRFLBAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N7O/c1-4-20(5-2)13-18-11(15-3)17-12(19-13)16-9-7-6-8-10(14)21/h4-9H2,1-3H3,(H2,14,21)(H2,15,16,17,18,19).
What are the key properties of 5-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]pentanamide?
5-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]pentanamide has a molecular weight of 295.39 g/mol, XLogP of 0.83, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]pentanamide is sourced from PubChem (CID 106241626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).