N-(9-acetyl-6-oxo-1H-purin-2-yl)acetamide

C9H9N5O3 — CID 135433594

IUPACN-(9-acetyl-6-oxo-1H-purin-2-yl)acetamide
SMILESCC(=O)Nc1nc2c(ncn2C(C)=O)c(=O)[nH]1
InChIInChI=1S/C9H9N5O3/c1-4(15)11-9-12-7-6(8(17)13-9)10-3-14(7)5(2)16/h3H,1-2H3,(H2,11,12,13,15,17)
InChIKeyGILZZWCROUGLIS-UHFFFAOYSA-N
MW235.20 g/mol
LogP-0.26
Rot. Bonds1

About N-(9-acetyl-6-oxo-1H-purin-2-yl)acetamide

N-(9-acetyl-6-oxo-1H-purin-2-yl)acetamide (PubChem CID 135433594) has the molecular formula C9H9N5O3 and a molecular weight of 235.20 g/mol. Its IUPAC name is N-(9-acetyl-6-oxo-1H-purin-2-yl)acetamide.

Molecular Properties

Compound NameN-(9-acetyl-6-oxo-1H-purin-2-yl)acetamide
PubChem CID135433594
Molecular FormulaC9H9N5O3
Molecular Weight235.20 g/mol
Exact Mass235.07
IUPAC NameN-(9-acetyl-6-oxo-1H-purin-2-yl)acetamide
SMILESCC(=O)Nc1nc2c(ncn2C(C)=O)c(=O)[nH]1
InChIInChI=1S/C9H9N5O3/c1-4(15)11-9-12-7-6(8(17)13-9)10-3-14(7)5(2)16/h3H,1-2H3,(H2,11,12,13,15,17)
InChIKeyGILZZWCROUGLIS-UHFFFAOYSA-N
XLogP-0.26
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(9-acetyl-6-oxo-1H-purin-2-yl)acetamide?
The IUPAC name of N-(9-acetyl-6-oxo-1H-purin-2-yl)acetamide (CID 135433594) is N-(9-acetyl-6-oxo-1H-purin-2-yl)acetamide.
What is the SMILES notation for N-(9-acetyl-6-oxo-1H-purin-2-yl)acetamide?
The canonical SMILES for N-(9-acetyl-6-oxo-1H-purin-2-yl)acetamide is CC(=O)Nc1nc2c(ncn2C(C)=O)c(=O)[nH]1.
What is the InChIKey of N-(9-acetyl-6-oxo-1H-purin-2-yl)acetamide?
The InChIKey is GILZZWCROUGLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3/c1-4(15)11-9-12-7-6(8(17)13-9)10-3-14(7)5(2)16/h3H,1-2H3,(H2,11,12,13,15,17).
What are the key properties of N-(9-acetyl-6-oxo-1H-purin-2-yl)acetamide?
N-(9-acetyl-6-oxo-1H-purin-2-yl)acetamide has a molecular weight of 235.20 g/mol, XLogP of -0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-acetyl-6-oxo-1H-purin-2-yl)acetamide is sourced from PubChem (CID 135433594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).