2-[2-chloro-1-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl acetate

C11H15ClN2O5 — CID 70375430

IUPAC2-[2-chloro-1-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl acetate
SMILESCC(=O)OCCOC(CCl)n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C11H15ClN2O5/c1-7-6-14(11(17)13-10(7)16)9(5-12)19-4-3-18-8(2)15/h6,9H,3-5H2,1-2H3,(H,13,16,17)
InChIKeyQKMDNDPMRPNQKL-UHFFFAOYSA-N
MW290.70 g/mol
LogP0.16
Rot. Bonds6

About 2-[2-chloro-1-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl acetate

2-[2-chloro-1-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl acetate (PubChem CID 70375430) has the molecular formula C11H15ClN2O5 and a molecular weight of 290.70 g/mol. Its IUPAC name is 2-[2-chloro-1-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl acetate.

Molecular Properties

Compound Name2-[2-chloro-1-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl acetate
PubChem CID70375430
Molecular FormulaC11H15ClN2O5
Molecular Weight290.70 g/mol
Exact Mass290.07
IUPAC Name2-[2-chloro-1-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl acetate
SMILESCC(=O)OCCOC(CCl)n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C11H15ClN2O5/c1-7-6-14(11(17)13-10(7)16)9(5-12)19-4-3-18-8(2)15/h6,9H,3-5H2,1-2H3,(H,13,16,17)
InChIKeyQKMDNDPMRPNQKL-UHFFFAOYSA-N
XLogP0.16
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.70
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-1-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl acetate?
The IUPAC name of 2-[2-chloro-1-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl acetate (CID 70375430) is 2-[2-chloro-1-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl acetate.
What is the SMILES notation for 2-[2-chloro-1-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl acetate?
The canonical SMILES for 2-[2-chloro-1-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl acetate is CC(=O)OCCOC(CCl)n1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of 2-[2-chloro-1-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl acetate?
The InChIKey is QKMDNDPMRPNQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O5/c1-7-6-14(11(17)13-10(7)16)9(5-12)19-4-3-18-8(2)15/h6,9H,3-5H2,1-2H3,(H,13,16,17).
What are the key properties of 2-[2-chloro-1-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl acetate?
2-[2-chloro-1-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl acetate has a molecular weight of 290.70 g/mol, XLogP of 0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-1-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl acetate is sourced from PubChem (CID 70375430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).