2-(2,4,6-trichloropyrimidin-5-yl)ethyl acetate

C8H7Cl3N2O2 — CID 142716228

IUPAC2-(2,4,6-trichloropyrimidin-5-yl)ethyl acetate
SMILESCC(=O)OCCc1c(Cl)nc(Cl)nc1Cl
InChIInChI=1S/C8H7Cl3N2O2/c1-4(14)15-3-2-5-6(9)12-8(11)13-7(5)10/h2-3H2,1H3
InChIKeyJKTYVHPQKKZZCP-UHFFFAOYSA-N
MW269.51 g/mol
LogP2.54
Rot. Bonds3

About 2-(2,4,6-trichloropyrimidin-5-yl)ethyl acetate

2-(2,4,6-trichloropyrimidin-5-yl)ethyl acetate (PubChem CID 142716228) has the molecular formula C8H7Cl3N2O2 and a molecular weight of 269.51 g/mol. Its IUPAC name is 2-(2,4,6-trichloropyrimidin-5-yl)ethyl acetate.

Molecular Properties

Compound Name2-(2,4,6-trichloropyrimidin-5-yl)ethyl acetate
PubChem CID142716228
Molecular FormulaC8H7Cl3N2O2
Molecular Weight269.51 g/mol
Exact Mass267.96
IUPAC Name2-(2,4,6-trichloropyrimidin-5-yl)ethyl acetate
SMILESCC(=O)OCCc1c(Cl)nc(Cl)nc1Cl
InChIInChI=1S/C8H7Cl3N2O2/c1-4(14)15-3-2-5-6(9)12-8(11)13-7(5)10/h2-3H2,1H3
InChIKeyJKTYVHPQKKZZCP-UHFFFAOYSA-N
XLogP2.54
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.51
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trichloropyrimidin-5-yl)ethyl acetate?
The IUPAC name of 2-(2,4,6-trichloropyrimidin-5-yl)ethyl acetate (CID 142716228) is 2-(2,4,6-trichloropyrimidin-5-yl)ethyl acetate.
What is the SMILES notation for 2-(2,4,6-trichloropyrimidin-5-yl)ethyl acetate?
The canonical SMILES for 2-(2,4,6-trichloropyrimidin-5-yl)ethyl acetate is CC(=O)OCCc1c(Cl)nc(Cl)nc1Cl.
What is the InChIKey of 2-(2,4,6-trichloropyrimidin-5-yl)ethyl acetate?
The InChIKey is JKTYVHPQKKZZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl3N2O2/c1-4(14)15-3-2-5-6(9)12-8(11)13-7(5)10/h2-3H2,1H3.
What are the key properties of 2-(2,4,6-trichloropyrimidin-5-yl)ethyl acetate?
2-(2,4,6-trichloropyrimidin-5-yl)ethyl acetate has a molecular weight of 269.51 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trichloropyrimidin-5-yl)ethyl acetate is sourced from PubChem (CID 142716228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).