ethyl 2-(2,6-dichloropurin-7-yl)acetate

C9H8Cl2N4O2 — CID 86302595

IUPACethyl 2-(2,6-dichloropurin-7-yl)acetate
SMILESCCOC(=O)Cn1cnc2nc(Cl)nc(Cl)c21
InChIInChI=1S/C9H8Cl2N4O2/c1-2-17-5(16)3-15-4-12-8-6(15)7(10)13-9(11)14-8/h4H,2-3H2,1H3
InChIKeyNRQZARNLPNOAKP-UHFFFAOYSA-N
MW275.10 g/mol
LogP1.70
Rot. Bonds3

About ethyl 2-(2,6-dichloropurin-7-yl)acetate

ethyl 2-(2,6-dichloropurin-7-yl)acetate (PubChem CID 86302595) has the molecular formula C9H8Cl2N4O2 and a molecular weight of 275.10 g/mol. Its IUPAC name is ethyl 2-(2,6-dichloropurin-7-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,6-dichloropurin-7-yl)acetate
PubChem CID86302595
Molecular FormulaC9H8Cl2N4O2
Molecular Weight275.10 g/mol
Exact Mass274.00
IUPAC Nameethyl 2-(2,6-dichloropurin-7-yl)acetate
SMILESCCOC(=O)Cn1cnc2nc(Cl)nc(Cl)c21
InChIInChI=1S/C9H8Cl2N4O2/c1-2-17-5(16)3-15-4-12-8-6(15)7(10)13-9(11)14-8/h4H,2-3H2,1H3
InChIKeyNRQZARNLPNOAKP-UHFFFAOYSA-N
XLogP1.70
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,6-dichloropurin-7-yl)acetate?
The IUPAC name of ethyl 2-(2,6-dichloropurin-7-yl)acetate (CID 86302595) is ethyl 2-(2,6-dichloropurin-7-yl)acetate.
What is the SMILES notation for ethyl 2-(2,6-dichloropurin-7-yl)acetate?
The canonical SMILES for ethyl 2-(2,6-dichloropurin-7-yl)acetate is CCOC(=O)Cn1cnc2nc(Cl)nc(Cl)c21.
What is the InChIKey of ethyl 2-(2,6-dichloropurin-7-yl)acetate?
The InChIKey is NRQZARNLPNOAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N4O2/c1-2-17-5(16)3-15-4-12-8-6(15)7(10)13-9(11)14-8/h4H,2-3H2,1H3.
What are the key properties of ethyl 2-(2,6-dichloropurin-7-yl)acetate?
ethyl 2-(2,6-dichloropurin-7-yl)acetate has a molecular weight of 275.10 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,6-dichloropurin-7-yl)acetate is sourced from PubChem (CID 86302595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).