(6-amino-7H-purin-8-yl) acetate

C7H7N5O2 — CID 130015261

IUPAC(6-amino-7H-purin-8-yl) acetate
SMILESCC(=O)Oc1nc2ncnc(N)c2[nH]1
InChIInChI=1S/C7H7N5O2/c1-3(13)14-7-11-4-5(8)9-2-10-6(4)12-7/h2H,1H3,(H3,8,9,10,11,12)
InChIKeyBLOZSOYCWRRFRO-UHFFFAOYSA-N
MW193.17 g/mol
LogP-0.14
Rot. Bonds1

About (6-amino-7H-purin-8-yl) acetate

(6-amino-7H-purin-8-yl) acetate (PubChem CID 130015261) has the molecular formula C7H7N5O2 and a molecular weight of 193.17 g/mol. Its IUPAC name is (6-amino-7H-purin-8-yl) acetate.

Molecular Properties

Compound Name(6-amino-7H-purin-8-yl) acetate
PubChem CID130015261
Molecular FormulaC7H7N5O2
Molecular Weight193.17 g/mol
Exact Mass193.06
IUPAC Name(6-amino-7H-purin-8-yl) acetate
SMILESCC(=O)Oc1nc2ncnc(N)c2[nH]1
InChIInChI=1S/C7H7N5O2/c1-3(13)14-7-11-4-5(8)9-2-10-6(4)12-7/h2H,1H3,(H3,8,9,10,11,12)
InChIKeyBLOZSOYCWRRFRO-UHFFFAOYSA-N
XLogP-0.14
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7H-purine-6,8-diamine;dihydrochloride
CID 45264504
8-methylsulfanyl-7H-purin-6-amine
CID 935524
8-N,8-N-dimethyl-7H-purine-6,8-diamine
CID 776561
8-fluoro-7H-purin-6-amine;phosphoric acid
CID 159830247
8-(3-methylbut-3-enyl)-7H-purin-6-amine
CID 155026179
3-(6-amino-7H-purin-8-yl)-1,1,1-trifluoropropan-2-one
CID 114608424
(2R)-2-[(6-amino-7H-purin-8-yl)sulfanyl]butanoic acid
CID 784867
(2-acetyloxy-1H-imidazol-5-yl) acetate
CID 68981763
8-(1-aminopropyl)-7H-purin-6-amine
CID 114607892
8-(trifluoromethyl)-7H-purin-6-amine
CID 3635406
8-(2-amino-1-methoxyethyl)-7H-purin-6-amine
CID 106108785
6-(6-amino-7H-purin-8-yl)-1H-pyridin-2-one
CID 114040234

Frequently Asked Questions

What is the IUPAC name of (6-amino-7H-purin-8-yl) acetate?
The IUPAC name of (6-amino-7H-purin-8-yl) acetate (CID 130015261) is (6-amino-7H-purin-8-yl) acetate.
What is the SMILES notation for (6-amino-7H-purin-8-yl) acetate?
The canonical SMILES for (6-amino-7H-purin-8-yl) acetate is CC(=O)Oc1nc2ncnc(N)c2[nH]1.
What is the InChIKey of (6-amino-7H-purin-8-yl) acetate?
The InChIKey is BLOZSOYCWRRFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2/c1-3(13)14-7-11-4-5(8)9-2-10-6(4)12-7/h2H,1H3,(H3,8,9,10,11,12).
What are the key properties of (6-amino-7H-purin-8-yl) acetate?
(6-amino-7H-purin-8-yl) acetate has a molecular weight of 193.17 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-7H-purin-8-yl) acetate is sourced from PubChem (CID 130015261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).