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

C14H13N5O2 — CID 135471186

IUPACN-(7-benzyl-6-oxo-1H-purin-2-yl)acetamide
SMILESCC(=O)Nc1nc2ncn(Cc3ccccc3)c2c(=O)[nH]1
InChIInChI=1S/C14H13N5O2/c1-9(20)16-14-17-12-11(13(21)18-14)19(8-15-12)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H2,16,17,18,20,21)
InChIKeyXAGPLKSHMHHBIP-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.13
Rot. Bonds3

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

N-(7-benzyl-6-oxo-1H-purin-2-yl)acetamide (PubChem CID 135471186) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(7-benzyl-6-oxo-1H-purin-2-yl)acetamide.

Molecular Properties

Compound NameN-(7-benzyl-6-oxo-1H-purin-2-yl)acetamide
PubChem CID135471186
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC NameN-(7-benzyl-6-oxo-1H-purin-2-yl)acetamide
SMILESCC(=O)Nc1nc2ncn(Cc3ccccc3)c2c(=O)[nH]1
InChIInChI=1S/C14H13N5O2/c1-9(20)16-14-17-12-11(13(21)18-14)19(8-15-12)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H2,16,17,18,20,21)
InChIKeyXAGPLKSHMHHBIP-UHFFFAOYSA-N
XLogP1.13
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-benzyl-2-(2-phenylhydrazinyl)-1H-purin-6-one
CID 137235268
7-benzyl-2-(2,2-dimethylpropyl)-1H-purin-6-one
CID 135708928
N-(7-acetyl-6-oxo-1H-purin-2-yl)acetamide
CID 135533212
1-(7-benzyl-6-oxo-1H-purin-2-yl)pyrazole-4-carboxylic acid
CID 156762446
2-amino-7-[(4-fluorophenyl)methyl]-1H-purin-6-one
CID 135405774
1-benzyl-6-(4-chloroanilino)-7H-imidazo[4,5-e][1,3]diazepine-4,8-dione
CID 29212794
4-[[2-(4-methylpyrazol-1-yl)-6-oxo-1H-purin-7-yl]methyl]benzoic acid
CID 161058704
N-(3-benzyl-5-phenylimidazol-4-yl)acetamide
CID 166206532
N'-(5-benzyl-4-oxo-1,3,5-triazin-2-yl)acetohydrazide
CID 54557148
7-benzyl-2-chloro-1-ethylpurin-6-one
CID 23403639
2-(3-chlorophenyl)-7-[(3-chlorophenyl)methyl]-1H-purin-6-one
CID 135709102
2-amino-7-[(4-methoxyphenyl)methyl]-1H-purin-6-one;dihydrochloride
CID 135845144

Frequently Asked Questions

What is the IUPAC name of N-(7-benzyl-6-oxo-1H-purin-2-yl)acetamide?
The IUPAC name of N-(7-benzyl-6-oxo-1H-purin-2-yl)acetamide (CID 135471186) is N-(7-benzyl-6-oxo-1H-purin-2-yl)acetamide.
What is the SMILES notation for N-(7-benzyl-6-oxo-1H-purin-2-yl)acetamide?
The canonical SMILES for N-(7-benzyl-6-oxo-1H-purin-2-yl)acetamide is CC(=O)Nc1nc2ncn(Cc3ccccc3)c2c(=O)[nH]1.
What is the InChIKey of N-(7-benzyl-6-oxo-1H-purin-2-yl)acetamide?
The InChIKey is XAGPLKSHMHHBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-9(20)16-14-17-12-11(13(21)18-14)19(8-15-12)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H2,16,17,18,20,21).
What are the key properties of N-(7-benzyl-6-oxo-1H-purin-2-yl)acetamide?
N-(7-benzyl-6-oxo-1H-purin-2-yl)acetamide has a molecular weight of 283.29 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-benzyl-6-oxo-1H-purin-2-yl)acetamide is sourced from PubChem (CID 135471186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).