2-[(6-chloropurin-9-yl)methoxy]ethyl acetate

C10H11ClN4O3 — CID 512655

IUPAC2-[(6-chloropurin-9-yl)methoxy]ethyl acetate
SMILESCC(=O)OCCOCn1cnc2c(Cl)ncnc21
InChIInChI=1S/C10H11ClN4O3/c1-7(16)18-3-2-17-6-15-5-14-8-9(11)12-4-13-10(8)15/h4-5H,2-3,6H2,1H3
InChIKeyWZVLTCCUFBQPSE-UHFFFAOYSA-N
MW270.68 g/mol
LogP1.02
Rot. Bonds5

About 2-[(6-chloropurin-9-yl)methoxy]ethyl acetate

2-[(6-chloropurin-9-yl)methoxy]ethyl acetate (PubChem CID 512655) has the molecular formula C10H11ClN4O3 and a molecular weight of 270.68 g/mol. Its IUPAC name is 2-[(6-chloropurin-9-yl)methoxy]ethyl acetate.

Molecular Properties

Compound Name2-[(6-chloropurin-9-yl)methoxy]ethyl acetate
PubChem CID512655
Molecular FormulaC10H11ClN4O3
Molecular Weight270.68 g/mol
Exact Mass270.05
IUPAC Name2-[(6-chloropurin-9-yl)methoxy]ethyl acetate
SMILESCC(=O)OCCOCn1cnc2c(Cl)ncnc21
InChIInChI=1S/C10H11ClN4O3/c1-7(16)18-3-2-17-6-15-5-14-8-9(11)12-4-13-10(8)15/h4-5H,2-3,6H2,1H3
InChIKeyWZVLTCCUFBQPSE-UHFFFAOYSA-N
XLogP1.02
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.68
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropurin-9-yl)methoxy]ethyl acetate?
The IUPAC name of 2-[(6-chloropurin-9-yl)methoxy]ethyl acetate (CID 512655) is 2-[(6-chloropurin-9-yl)methoxy]ethyl acetate.
What is the SMILES notation for 2-[(6-chloropurin-9-yl)methoxy]ethyl acetate?
The canonical SMILES for 2-[(6-chloropurin-9-yl)methoxy]ethyl acetate is CC(=O)OCCOCn1cnc2c(Cl)ncnc21.
What is the InChIKey of 2-[(6-chloropurin-9-yl)methoxy]ethyl acetate?
The InChIKey is WZVLTCCUFBQPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O3/c1-7(16)18-3-2-17-6-15-5-14-8-9(11)12-4-13-10(8)15/h4-5H,2-3,6H2,1H3.
What are the key properties of 2-[(6-chloropurin-9-yl)methoxy]ethyl acetate?
2-[(6-chloropurin-9-yl)methoxy]ethyl acetate has a molecular weight of 270.68 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropurin-9-yl)methoxy]ethyl acetate is sourced from PubChem (CID 512655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).