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

C9H11BrN2O4 — CID 664203

IUPACmethyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate
SMILESCOC(=O)COc1nc(C)c(Br)c(OC)n1
InChIInChI=1S/C9H11BrN2O4/c1-5-7(10)8(15-3)12-9(11-5)16-4-6(13)14-2/h4H2,1-3H3
InChIKeyOLQOZQKGODHWBT-UHFFFAOYSA-N
MW291.10 g/mol
LogP1.11
Rot. Bonds4

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

methyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate (PubChem CID 664203) has the molecular formula C9H11BrN2O4 and a molecular weight of 291.10 g/mol. Its IUPAC name is methyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate.

Molecular Properties

Compound Namemethyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate
PubChem CID664203
Molecular FormulaC9H11BrN2O4
Molecular Weight291.10 g/mol
Exact Mass289.99
IUPAC Namemethyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate
SMILESCOC(=O)COc1nc(C)c(Br)c(OC)n1
InChIInChI=1S/C9H11BrN2O4/c1-5-7(10)8(15-3)12-9(11-5)16-4-6(13)14-2/h4H2,1-3H3
InChIKeyOLQOZQKGODHWBT-UHFFFAOYSA-N
XLogP1.11
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.10
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate?
The IUPAC name of methyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate (CID 664203) is methyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate.
What is the SMILES notation for methyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate?
The canonical SMILES for methyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate is COC(=O)COc1nc(C)c(Br)c(OC)n1.
What is the InChIKey of methyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate?
The InChIKey is OLQOZQKGODHWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O4/c1-5-7(10)8(15-3)12-9(11-5)16-4-6(13)14-2/h4H2,1-3H3.
What are the key properties of methyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate?
methyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate has a molecular weight of 291.10 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate is sourced from PubChem (CID 664203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).