N-(9-acetyl-6-aminopurin-2-yl)acetamide

C9H10N6O2 — CID 11128221

IUPACN-(9-acetyl-6-aminopurin-2-yl)acetamide
SMILESCC(=O)Nc1nc(N)c2ncn(C(C)=O)c2n1
InChIInChI=1S/C9H10N6O2/c1-4(16)12-9-13-7(10)6-8(14-9)15(3-11-6)5(2)17/h3H,1-2H3,(H3,10,12,13,14,16)
InChIKeyGKDDMXDJFAUIPF-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.03
Rot. Bonds1

About N-(9-acetyl-6-aminopurin-2-yl)acetamide

N-(9-acetyl-6-aminopurin-2-yl)acetamide (PubChem CID 11128221) has the molecular formula C9H10N6O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is N-(9-acetyl-6-aminopurin-2-yl)acetamide.

Molecular Properties

Compound NameN-(9-acetyl-6-aminopurin-2-yl)acetamide
PubChem CID11128221
Molecular FormulaC9H10N6O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC NameN-(9-acetyl-6-aminopurin-2-yl)acetamide
SMILESCC(=O)Nc1nc(N)c2ncn(C(C)=O)c2n1
InChIInChI=1S/C9H10N6O2/c1-4(16)12-9-13-7(10)6-8(14-9)15(3-11-6)5(2)17/h3H,1-2H3,(H3,10,12,13,14,16)
InChIKeyGKDDMXDJFAUIPF-UHFFFAOYSA-N
XLogP0.03
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(9-acetyl-6-aminopurin-2-yl)acetamide?
The IUPAC name of N-(9-acetyl-6-aminopurin-2-yl)acetamide (CID 11128221) is N-(9-acetyl-6-aminopurin-2-yl)acetamide.
What is the SMILES notation for N-(9-acetyl-6-aminopurin-2-yl)acetamide?
The canonical SMILES for N-(9-acetyl-6-aminopurin-2-yl)acetamide is CC(=O)Nc1nc(N)c2ncn(C(C)=O)c2n1.
What is the InChIKey of N-(9-acetyl-6-aminopurin-2-yl)acetamide?
The InChIKey is GKDDMXDJFAUIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2/c1-4(16)12-9-13-7(10)6-8(14-9)15(3-11-6)5(2)17/h3H,1-2H3,(H3,10,12,13,14,16).
What are the key properties of N-(9-acetyl-6-aminopurin-2-yl)acetamide?
N-(9-acetyl-6-aminopurin-2-yl)acetamide has a molecular weight of 234.22 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-acetyl-6-aminopurin-2-yl)acetamide is sourced from PubChem (CID 11128221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).