N-(7-acetyl-6-oxo-1H-purin-2-yl)acetamide

C9H9N5O3 — CID 135533212

IUPACN-(7-acetyl-6-oxo-1H-purin-2-yl)acetamide
SMILESCC(=O)Nc1nc2ncn(C(C)=O)c2c(=O)[nH]1
InChIInChI=1S/C9H9N5O3/c1-4(15)11-9-12-7-6(8(17)13-9)14(3-10-7)5(2)16/h3H,1-2H3,(H2,11,12,13,15,17)
InChIKeyGETGEJGXNZNYSB-UHFFFAOYSA-N
MW235.20 g/mol
LogP-0.26
Rot. Bonds1

About N-(7-acetyl-6-oxo-1H-purin-2-yl)acetamide

N-(7-acetyl-6-oxo-1H-purin-2-yl)acetamide (PubChem CID 135533212) has the molecular formula C9H9N5O3 and a molecular weight of 235.20 g/mol. Its IUPAC name is N-(7-acetyl-6-oxo-1H-purin-2-yl)acetamide.

Molecular Properties

Compound NameN-(7-acetyl-6-oxo-1H-purin-2-yl)acetamide
PubChem CID135533212
Molecular FormulaC9H9N5O3
Molecular Weight235.20 g/mol
Exact Mass235.07
IUPAC NameN-(7-acetyl-6-oxo-1H-purin-2-yl)acetamide
SMILESCC(=O)Nc1nc2ncn(C(C)=O)c2c(=O)[nH]1
InChIInChI=1S/C9H9N5O3/c1-4(15)11-9-12-7-6(8(17)13-9)14(3-10-7)5(2)16/h3H,1-2H3,(H2,11,12,13,15,17)
InChIKeyGETGEJGXNZNYSB-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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Related Compounds

N-(7-benzyl-6-oxo-1H-purin-2-yl)acetamide
CID 135471186
2-amino-7-(2-methylprop-2-enoyl)-1H-purin-6-one
CID 139915497
[(2R,3R,3aS,6S,6aS)-2-(2-acetamido-6-oxo-1H-purin-7-yl)-6-acetyloxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl] acetate
CID 137048396
N-[9-[2-[(2-acetamido-6-oxo-1H-purin-9-yl)methoxy]ethoxymethyl]-6-oxo-1H-purin-2-yl]acetamide
CID 169440039
[(2R,3S,4R,5R,6R)-6-(2-acetamido-6-oxo-1H-purin-7-yl)-3,4-diacetyloxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate
CID 136738133
N-(7-methyl-6-oxo-1H-purin-8-yl)acetamide
CID 142422606
N-[9-(2-chloroethoxymethyl)-6-oxo-1H-purin-2-yl]acetamide
CID 156597245
N-[9-(4-methylphenyl)sulfonyl-6-oxo-1H-purin-2-yl]acetamide
CID 136711713
5-(2-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)pentanoic acid
CID 12679379
7-methyl-2-[3-(trifluoromethyl)anilino]-1H-purin-6-one
CID 135540601
N-(8-bromo-4-oxo-3H-quinazolin-2-yl)acetamide
CID 135742304
methyl 2-(2-amino-6-oxo-1H-purin-7-yl)acetate
CID 136707556

Frequently Asked Questions

What is the IUPAC name of N-(7-acetyl-6-oxo-1H-purin-2-yl)acetamide?
The IUPAC name of N-(7-acetyl-6-oxo-1H-purin-2-yl)acetamide (CID 135533212) is N-(7-acetyl-6-oxo-1H-purin-2-yl)acetamide.
What is the SMILES notation for N-(7-acetyl-6-oxo-1H-purin-2-yl)acetamide?
The canonical SMILES for N-(7-acetyl-6-oxo-1H-purin-2-yl)acetamide is CC(=O)Nc1nc2ncn(C(C)=O)c2c(=O)[nH]1.
What is the InChIKey of N-(7-acetyl-6-oxo-1H-purin-2-yl)acetamide?
The InChIKey is GETGEJGXNZNYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3/c1-4(15)11-9-12-7-6(8(17)13-9)14(3-10-7)5(2)16/h3H,1-2H3,(H2,11,12,13,15,17).
What are the key properties of N-(7-acetyl-6-oxo-1H-purin-2-yl)acetamide?
N-(7-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-(7-acetyl-6-oxo-1H-purin-2-yl)acetamide is sourced from PubChem (CID 135533212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).