2-(6-aminopurin-9-yl)-N-butan-2-ylacetamide

C11H16N6O — CID 55212930

IUPAC2-(6-aminopurin-9-yl)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)Cn1cnc2c(N)ncnc21
InChIInChI=1S/C11H16N6O/c1-3-7(2)16-8(18)4-17-6-15-9-10(12)13-5-14-11(9)17/h5-7H,3-4H2,1-2H3,(H,16,18)(H2,12,13,14)
InChIKeyARMUOGREADDEND-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.32
Rot. Bonds4

About 2-(6-aminopurin-9-yl)-N-butan-2-ylacetamide

2-(6-aminopurin-9-yl)-N-butan-2-ylacetamide (PubChem CID 55212930) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-(6-aminopurin-9-yl)-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-(6-aminopurin-9-yl)-N-butan-2-ylacetamide
PubChem CID55212930
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name2-(6-aminopurin-9-yl)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)Cn1cnc2c(N)ncnc21
InChIInChI=1S/C11H16N6O/c1-3-7(2)16-8(18)4-17-6-15-9-10(12)13-5-14-11(9)17/h5-7H,3-4H2,1-2H3,(H,16,18)(H2,12,13,14)
InChIKeyARMUOGREADDEND-UHFFFAOYSA-N
XLogP0.32
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-aminopurin-9-yl)-N-butan-2-ylacetamide?
The IUPAC name of 2-(6-aminopurin-9-yl)-N-butan-2-ylacetamide (CID 55212930) is 2-(6-aminopurin-9-yl)-N-butan-2-ylacetamide.
What is the SMILES notation for 2-(6-aminopurin-9-yl)-N-butan-2-ylacetamide?
The canonical SMILES for 2-(6-aminopurin-9-yl)-N-butan-2-ylacetamide is CCC(C)NC(=O)Cn1cnc2c(N)ncnc21.
What is the InChIKey of 2-(6-aminopurin-9-yl)-N-butan-2-ylacetamide?
The InChIKey is ARMUOGREADDEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-3-7(2)16-8(18)4-17-6-15-9-10(12)13-5-14-11(9)17/h5-7H,3-4H2,1-2H3,(H,16,18)(H2,12,13,14).
What are the key properties of 2-(6-aminopurin-9-yl)-N-butan-2-ylacetamide?
2-(6-aminopurin-9-yl)-N-butan-2-ylacetamide has a molecular weight of 248.29 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminopurin-9-yl)-N-butan-2-ylacetamide is sourced from PubChem (CID 55212930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).