1-(6-aminopurin-9-yl)ethanone

C7H7N5O — CID 56662952

IUPAC1-(6-aminopurin-9-yl)ethanone
SMILESCC(=O)n1cnc2c(N)ncnc21
InChIInChI=1S/C7H7N5O/c1-4(13)12-3-11-5-6(8)9-2-10-7(5)12/h2-3H,1H3,(H2,8,9,10)
InChIKeyFQZSWWUQRCUYAA-UHFFFAOYSA-N
MW177.17 g/mol
LogP0.07
Rot. Bonds

About 1-(6-aminopurin-9-yl)ethanone

1-(6-aminopurin-9-yl)ethanone (PubChem CID 56662952) has the molecular formula C7H7N5O and a molecular weight of 177.17 g/mol. Its IUPAC name is 1-(6-aminopurin-9-yl)ethanone.

Molecular Properties

Compound Name1-(6-aminopurin-9-yl)ethanone
PubChem CID56662952
Molecular FormulaC7H7N5O
Molecular Weight177.17 g/mol
Exact Mass177.07
IUPAC Name1-(6-aminopurin-9-yl)ethanone
SMILESCC(=O)n1cnc2c(N)ncnc21
InChIInChI=1S/C7H7N5O/c1-4(13)12-3-11-5-6(8)9-2-10-7(5)12/h2-3H,1H3,(H2,8,9,10)
InChIKeyFQZSWWUQRCUYAA-UHFFFAOYSA-N
XLogP0.07
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-chloropurin-9-yl)ethanone
CID 14642058
(6-aminopurin-9-yl) acetate
CID 57119110
1-(6-aminopurin-9-yl)propan-2-one
CID 14258026
N-(9-acetyl-6-aminopurin-2-yl)acetamide
CID 11128221
6-amino-N-(4-chlorophenyl)purine-9-carboxamide
CID 134094128
(E)-5-(6-aminopurin-9-yl)pent-3-en-2-one
CID 71531295
(E)-2-(6-aminopurin-9-yl)-3-hydroxyprop-2-enenitrile
CID 10774461
(2R)-2-amino-2-(6-aminopurin-9-yl)acetic acid
CID 40601282
(6-aminopurin-9-yl)urea
CID 57269838
9-phosphorosopurin-6-amine
CID 57110561
1-(6-aminopurin-9-yl)-3,3-dimethylbutan-2-one
CID 62023866
2-acetyloxy-4-(6-aminopurin-9-yl)butanoic acid
CID 163729575

Frequently Asked Questions

What is the IUPAC name of 1-(6-aminopurin-9-yl)ethanone?
The IUPAC name of 1-(6-aminopurin-9-yl)ethanone (CID 56662952) is 1-(6-aminopurin-9-yl)ethanone.
What is the SMILES notation for 1-(6-aminopurin-9-yl)ethanone?
The canonical SMILES for 1-(6-aminopurin-9-yl)ethanone is CC(=O)n1cnc2c(N)ncnc21.
What is the InChIKey of 1-(6-aminopurin-9-yl)ethanone?
The InChIKey is FQZSWWUQRCUYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O/c1-4(13)12-3-11-5-6(8)9-2-10-7(5)12/h2-3H,1H3,(H2,8,9,10).
What are the key properties of 1-(6-aminopurin-9-yl)ethanone?
1-(6-aminopurin-9-yl)ethanone has a molecular weight of 177.17 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminopurin-9-yl)ethanone is sourced from PubChem (CID 56662952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).