ethyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate

C10H13BrN2O4 — CID 645131

IUPACethyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate
SMILESCCOC(=O)COc1nc(C)c(Br)c(OC)n1
InChIInChI=1S/C10H13BrN2O4/c1-4-16-7(14)5-17-10-12-6(2)8(11)9(13-10)15-3/h4-5H2,1-3H3
InChIKeyXCBYQPNJMTUSPH-UHFFFAOYSA-N
MW305.13 g/mol
LogP1.50
Rot. Bonds5

About ethyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate

ethyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate (PubChem CID 645131) has the molecular formula C10H13BrN2O4 and a molecular weight of 305.13 g/mol. Its IUPAC name is ethyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate.

Molecular Properties

Compound Nameethyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate
PubChem CID645131
Molecular FormulaC10H13BrN2O4
Molecular Weight305.13 g/mol
Exact Mass304.01
IUPAC Nameethyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate
SMILESCCOC(=O)COc1nc(C)c(Br)c(OC)n1
InChIInChI=1S/C10H13BrN2O4/c1-4-16-7(14)5-17-10-12-6(2)8(11)9(13-10)15-3/h4-5H2,1-3H3
InChIKeyXCBYQPNJMTUSPH-UHFFFAOYSA-N
XLogP1.50
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate?
The IUPAC name of ethyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate (CID 645131) is ethyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate.
What is the SMILES notation for ethyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate?
The canonical SMILES for ethyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate is CCOC(=O)COc1nc(C)c(Br)c(OC)n1.
What is the InChIKey of ethyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate?
The InChIKey is XCBYQPNJMTUSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O4/c1-4-16-7(14)5-17-10-12-6(2)8(11)9(13-10)15-3/h4-5H2,1-3H3.
What are the key properties of ethyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate?
ethyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate has a molecular weight of 305.13 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate is sourced from PubChem (CID 645131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).