2-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)ethyl acetate

C9H8Cl2N4O2 — CID 58514338

IUPAC2-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)ethyl acetate
SMILESCC(=O)OCCn1ncc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C9H8Cl2N4O2/c1-5(16)17-3-2-15-8-6(4-12-15)7(10)13-9(11)14-8/h4H,2-3H2,1H3
InChIKeyGGGGZGIYMNCJFS-UHFFFAOYSA-N
MW275.10 g/mol
LogP1.70
Rot. Bonds3

About 2-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)ethyl acetate

2-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)ethyl acetate (PubChem CID 58514338) has the molecular formula C9H8Cl2N4O2 and a molecular weight of 275.10 g/mol. Its IUPAC name is 2-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)ethyl acetate
PubChem CID58514338
Molecular FormulaC9H8Cl2N4O2
Molecular Weight275.10 g/mol
Exact Mass274.00
IUPAC Name2-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)ethyl acetate
SMILESCC(=O)OCCn1ncc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C9H8Cl2N4O2/c1-5(16)17-3-2-15-8-6(4-12-15)7(10)13-9(11)14-8/h4H,2-3H2,1H3
InChIKeyGGGGZGIYMNCJFS-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 2-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)ethyl acetate?
The IUPAC name of 2-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)ethyl acetate (CID 58514338) is 2-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)ethyl acetate.
What is the SMILES notation for 2-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)ethyl acetate?
The canonical SMILES for 2-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)ethyl acetate is CC(=O)OCCn1ncc2c(Cl)nc(Cl)nc21.
What is the InChIKey of 2-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)ethyl acetate?
The InChIKey is GGGGZGIYMNCJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N4O2/c1-5(16)17-3-2-15-8-6(4-12-15)7(10)13-9(11)14-8/h4H,2-3H2,1H3.
What are the key properties of 2-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)ethyl acetate?
2-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)ethyl 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 2-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)ethyl acetate is sourced from PubChem (CID 58514338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).