N-(7H-purin-6-yl)acetamide

C7H7N5O — CID 748208

IUPACN-(7H-purin-6-yl)acetamide
SMILESCC(=O)Nc1ncnc2nc[nH]c12
InChIInChI=1S/C7H7N5O/c1-4(13)12-7-5-6(9-2-8-5)10-3-11-7/h2-3H,1H3,(H2,8,9,10,11,12,13)
InChIKeyZURGFCUYILNMNA-UHFFFAOYSA-N
MW177.17 g/mol
LogP0.31
Rot. Bonds1

About N-(7H-purin-6-yl)acetamide

N-(7H-purin-6-yl)acetamide (PubChem CID 748208) has the molecular formula C7H7N5O and a molecular weight of 177.17 g/mol. Its IUPAC name is N-(7H-purin-6-yl)acetamide.

Molecular Properties

Compound NameN-(7H-purin-6-yl)acetamide
PubChem CID748208
Molecular FormulaC7H7N5O
Molecular Weight177.17 g/mol
Exact Mass177.07
IUPAC NameN-(7H-purin-6-yl)acetamide
SMILESCC(=O)Nc1ncnc2nc[nH]c12
InChIInChI=1S/C7H7N5O/c1-4(13)12-7-5-6(9-2-8-5)10-3-11-7/h2-3H,1H3,(H2,8,9,10,11,12,13)
InChIKeyZURGFCUYILNMNA-UHFFFAOYSA-N
XLogP0.31
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(7H-purin-6-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(7H-purin-6-yl)acetamide?
The IUPAC name of N-(7H-purin-6-yl)acetamide (CID 748208) is N-(7H-purin-6-yl)acetamide.
What is the SMILES notation for N-(7H-purin-6-yl)acetamide?
The canonical SMILES for N-(7H-purin-6-yl)acetamide is CC(=O)Nc1ncnc2nc[nH]c12.
What is the InChIKey of N-(7H-purin-6-yl)acetamide?
The InChIKey is ZURGFCUYILNMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O/c1-4(13)12-7-5-6(9-2-8-5)10-3-11-7/h2-3H,1H3,(H2,8,9,10,11,12,13).
What are the key properties of N-(7H-purin-6-yl)acetamide?
N-(7H-purin-6-yl)acetamide has a molecular weight of 177.17 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7H-purin-6-yl)acetamide is sourced from PubChem (CID 748208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).