2-(2,4-dichloropyrimidin-5-yl)ethyl acetate

C8H8Cl2N2O2 — CID 57396089

IUPAC2-(2,4-dichloropyrimidin-5-yl)ethyl acetate
SMILESCC(=O)OCCc1cnc(Cl)nc1Cl
InChIInChI=1S/C8H8Cl2N2O2/c1-5(13)14-3-2-6-4-11-8(10)12-7(6)9/h4H,2-3H2,1H3
InChIKeyMGMJJGZWXBVBGF-UHFFFAOYSA-N
MW235.07 g/mol
LogP1.89
Rot. Bonds3

About 2-(2,4-dichloropyrimidin-5-yl)ethyl acetate

2-(2,4-dichloropyrimidin-5-yl)ethyl acetate (PubChem CID 57396089) has the molecular formula C8H8Cl2N2O2 and a molecular weight of 235.07 g/mol. Its IUPAC name is 2-(2,4-dichloropyrimidin-5-yl)ethyl acetate.

Molecular Properties

Compound Name2-(2,4-dichloropyrimidin-5-yl)ethyl acetate
PubChem CID57396089
Molecular FormulaC8H8Cl2N2O2
Molecular Weight235.07 g/mol
Exact Mass234.00
IUPAC Name2-(2,4-dichloropyrimidin-5-yl)ethyl acetate
SMILESCC(=O)OCCc1cnc(Cl)nc1Cl
InChIInChI=1S/C8H8Cl2N2O2/c1-5(13)14-3-2-6-4-11-8(10)12-7(6)9/h4H,2-3H2,1H3
InChIKeyMGMJJGZWXBVBGF-UHFFFAOYSA-N
XLogP1.89
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloropyrimidin-5-yl)ethyl acetate?
The IUPAC name of 2-(2,4-dichloropyrimidin-5-yl)ethyl acetate (CID 57396089) is 2-(2,4-dichloropyrimidin-5-yl)ethyl acetate.
What is the SMILES notation for 2-(2,4-dichloropyrimidin-5-yl)ethyl acetate?
The canonical SMILES for 2-(2,4-dichloropyrimidin-5-yl)ethyl acetate is CC(=O)OCCc1cnc(Cl)nc1Cl.
What is the InChIKey of 2-(2,4-dichloropyrimidin-5-yl)ethyl acetate?
The InChIKey is MGMJJGZWXBVBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O2/c1-5(13)14-3-2-6-4-11-8(10)12-7(6)9/h4H,2-3H2,1H3.
What are the key properties of 2-(2,4-dichloropyrimidin-5-yl)ethyl acetate?
2-(2,4-dichloropyrimidin-5-yl)ethyl acetate has a molecular weight of 235.07 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloropyrimidin-5-yl)ethyl acetate is sourced from PubChem (CID 57396089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).