N-(7-methyl-6-oxo-1H-purin-8-yl)acetamide

C8H9N5O2 — CID 142422606

IUPACN-(7-methyl-6-oxo-1H-purin-8-yl)acetamide
SMILESCC(=O)Nc1nc2nc[nH]c(=O)c2n1C
InChIInChI=1S/C8H9N5O2/c1-4(14)11-8-12-6-5(13(8)2)7(15)10-3-9-6/h3H,1-2H3,(H2,9,10,11,12,14,15)
InChIKeyNMOCIHWNUOJHNO-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.38
Rot. Bonds1

About N-(7-methyl-6-oxo-1H-purin-8-yl)acetamide

N-(7-methyl-6-oxo-1H-purin-8-yl)acetamide (PubChem CID 142422606) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is N-(7-methyl-6-oxo-1H-purin-8-yl)acetamide.

Molecular Properties

Compound NameN-(7-methyl-6-oxo-1H-purin-8-yl)acetamide
PubChem CID142422606
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC NameN-(7-methyl-6-oxo-1H-purin-8-yl)acetamide
SMILESCC(=O)Nc1nc2nc[nH]c(=O)c2n1C
InChIInChI=1S/C8H9N5O2/c1-4(14)11-8-12-6-5(13(8)2)7(15)10-3-9-6/h3H,1-2H3,(H2,9,10,11,12,14,15)
InChIKeyNMOCIHWNUOJHNO-UHFFFAOYSA-N
XLogP-0.38
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-6-oxo-1H-purin-8-yl)acetamide?
The IUPAC name of N-(7-methyl-6-oxo-1H-purin-8-yl)acetamide (CID 142422606) is N-(7-methyl-6-oxo-1H-purin-8-yl)acetamide.
What is the SMILES notation for N-(7-methyl-6-oxo-1H-purin-8-yl)acetamide?
The canonical SMILES for N-(7-methyl-6-oxo-1H-purin-8-yl)acetamide is CC(=O)Nc1nc2nc[nH]c(=O)c2n1C.
What is the InChIKey of N-(7-methyl-6-oxo-1H-purin-8-yl)acetamide?
The InChIKey is NMOCIHWNUOJHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c1-4(14)11-8-12-6-5(13(8)2)7(15)10-3-9-6/h3H,1-2H3,(H2,9,10,11,12,14,15).
What are the key properties of N-(7-methyl-6-oxo-1H-purin-8-yl)acetamide?
N-(7-methyl-6-oxo-1H-purin-8-yl)acetamide has a molecular weight of 207.19 g/mol, XLogP of -0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-6-oxo-1H-purin-8-yl)acetamide is sourced from PubChem (CID 142422606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).