ethyl 2-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]acetate

C17H24N4O4 — CID 52935934

IUPACethyl 2-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]acetate
SMILESCCCn1c(OCC(=O)OCC)nc2nc(C3CCCC3)[nH]c2c1=O
InChIInChI=1S/C17H24N4O4/c1-3-9-21-16(23)13-15(19-14(18-13)11-7-5-6-8-11)20-17(21)25-10-12(22)24-4-2/h11H,3-10H2,1-2H3,(H,18,19)
InChIKeyICGLIOPOZOAJJI-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.13
Rot. Bonds7

About ethyl 2-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]acetate

ethyl 2-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]acetate (PubChem CID 52935934) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is ethyl 2-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]acetate
PubChem CID52935934
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Nameethyl 2-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]acetate
SMILESCCCn1c(OCC(=O)OCC)nc2nc(C3CCCC3)[nH]c2c1=O
InChIInChI=1S/C17H24N4O4/c1-3-9-21-16(23)13-15(19-14(18-13)11-7-5-6-8-11)20-17(21)25-10-12(22)24-4-2/h11H,3-10H2,1-2H3,(H,18,19)
InChIKeyICGLIOPOZOAJJI-UHFFFAOYSA-N
XLogP2.13
TPSA99.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-cyclohexyl-2-phenylmethoxy-1-propyl-7H-purin-6-one
CID 52934842
8-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]-1-propyl-7H-purin-6-one
CID 52934614
8-cyclopentyl-2-(1-methylpyrrolidin-3-yl)oxy-1-propyl-7H-purin-6-one
CID 70660748
4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzenesulfonamide
CID 52933688
8-cyclohexyl-2-[4-(1-hydroxyethyl)phenoxy]-1-propyl-7H-purin-6-one
CID 70656021
8-cyclohexyl-1-propyl-2-[[3-(trifluoromethyl)phenyl]methoxy]-7H-purin-6-one
CID 67196355
3-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzonitrile
CID 52934150
2-(1,3-benzodioxol-5-yloxy)-8-cyclohexyl-1-propyl-7H-purin-6-one
CID 67197951
3-(4-aminobutyl)-8-cyclopentyl-1-propyl-7H-purine-2,6-dione
CID 19699230
ethyl 3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)bicyclo[3.2.1]octane-8-carboxylate
CID 69266175
8-cyclopentyl-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1-propyl-7H-purine-2,6-dione
CID 19699231
8-cyclopentyl-1,3-dipropyl-6-sulfanylidene-7H-purin-2-one
CID 19382381

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]acetate?
The IUPAC name of ethyl 2-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]acetate (CID 52935934) is ethyl 2-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]acetate.
What is the SMILES notation for ethyl 2-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]acetate?
The canonical SMILES for ethyl 2-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]acetate is CCCn1c(OCC(=O)OCC)nc2nc(C3CCCC3)[nH]c2c1=O.
What is the InChIKey of ethyl 2-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]acetate?
The InChIKey is ICGLIOPOZOAJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-3-9-21-16(23)13-15(19-14(18-13)11-7-5-6-8-11)20-17(21)25-10-12(22)24-4-2/h11H,3-10H2,1-2H3,(H,18,19).
What are the key properties of ethyl 2-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]acetate?
ethyl 2-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]acetate has a molecular weight of 348.40 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]acetate is sourced from PubChem (CID 52935934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).