N-[7-(5-oxohexyl)purin-2-yl]acetamide

C13H17N5O2 — CID 70294089

IUPACN-[7-(5-oxohexyl)purin-2-yl]acetamide
SMILESCC(=O)CCCCn1cnc2nc(NC(C)=O)ncc21
InChIInChI=1S/C13H17N5O2/c1-9(19)5-3-4-6-18-8-15-12-11(18)7-14-13(17-12)16-10(2)20/h7-8H,3-6H2,1-2H3,(H,14,16,17,20)
InChIKeyQAFXLKPZFBEOIN-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.54
Rot. Bonds6

About N-[7-(5-oxohexyl)purin-2-yl]acetamide

N-[7-(5-oxohexyl)purin-2-yl]acetamide (PubChem CID 70294089) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[7-(5-oxohexyl)purin-2-yl]acetamide.

Molecular Properties

Compound NameN-[7-(5-oxohexyl)purin-2-yl]acetamide
PubChem CID70294089
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[7-(5-oxohexyl)purin-2-yl]acetamide
SMILESCC(=O)CCCCn1cnc2nc(NC(C)=O)ncc21
InChIInChI=1S/C13H17N5O2/c1-9(19)5-3-4-6-18-8-15-12-11(18)7-14-13(17-12)16-10(2)20/h7-8H,3-6H2,1-2H3,(H,14,16,17,20)
InChIKeyQAFXLKPZFBEOIN-UHFFFAOYSA-N
XLogP1.54
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
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-[7-(5-oxohexyl)purin-2-yl]acetamide?
The IUPAC name of N-[7-(5-oxohexyl)purin-2-yl]acetamide (CID 70294089) is N-[7-(5-oxohexyl)purin-2-yl]acetamide.
What is the SMILES notation for N-[7-(5-oxohexyl)purin-2-yl]acetamide?
The canonical SMILES for N-[7-(5-oxohexyl)purin-2-yl]acetamide is CC(=O)CCCCn1cnc2nc(NC(C)=O)ncc21.
What is the InChIKey of N-[7-(5-oxohexyl)purin-2-yl]acetamide?
The InChIKey is QAFXLKPZFBEOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-9(19)5-3-4-6-18-8-15-12-11(18)7-14-13(17-12)16-10(2)20/h7-8H,3-6H2,1-2H3,(H,14,16,17,20).
What are the key properties of N-[7-(5-oxohexyl)purin-2-yl]acetamide?
N-[7-(5-oxohexyl)purin-2-yl]acetamide has a molecular weight of 275.31 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(5-oxohexyl)purin-2-yl]acetamide is sourced from PubChem (CID 70294089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).