methyl 2-(6-methylpyrimidin-4-yl)oxyacetate

C8H10N2O3 — CID 15047491

IUPACmethyl 2-(6-methylpyrimidin-4-yl)oxyacetate
SMILESCOC(=O)COc1cc(C)ncn1
InChIInChI=1S/C8H10N2O3/c1-6-3-7(10-5-9-6)13-4-8(11)12-2/h3,5H,4H2,1-2H3
InChIKeyKDGWCFBMUGECIF-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.34
Rot. Bonds3

About methyl 2-(6-methylpyrimidin-4-yl)oxyacetate

methyl 2-(6-methylpyrimidin-4-yl)oxyacetate (PubChem CID 15047491) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is methyl 2-(6-methylpyrimidin-4-yl)oxyacetate.

Molecular Properties

Compound Namemethyl 2-(6-methylpyrimidin-4-yl)oxyacetate
PubChem CID15047491
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Namemethyl 2-(6-methylpyrimidin-4-yl)oxyacetate
SMILESCOC(=O)COc1cc(C)ncn1
InChIInChI=1S/C8H10N2O3/c1-6-3-7(10-5-9-6)13-4-8(11)12-2/h3,5H,4H2,1-2H3
InChIKeyKDGWCFBMUGECIF-UHFFFAOYSA-N
XLogP0.34
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-methylpyrimidin-4-yl)oxyacetate?
The IUPAC name of methyl 2-(6-methylpyrimidin-4-yl)oxyacetate (CID 15047491) is methyl 2-(6-methylpyrimidin-4-yl)oxyacetate.
What is the SMILES notation for methyl 2-(6-methylpyrimidin-4-yl)oxyacetate?
The canonical SMILES for methyl 2-(6-methylpyrimidin-4-yl)oxyacetate is COC(=O)COc1cc(C)ncn1.
What is the InChIKey of methyl 2-(6-methylpyrimidin-4-yl)oxyacetate?
The InChIKey is KDGWCFBMUGECIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-6-3-7(10-5-9-6)13-4-8(11)12-2/h3,5H,4H2,1-2H3.
What are the key properties of methyl 2-(6-methylpyrimidin-4-yl)oxyacetate?
methyl 2-(6-methylpyrimidin-4-yl)oxyacetate has a molecular weight of 182.18 g/mol, XLogP of 0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-methylpyrimidin-4-yl)oxyacetate is sourced from PubChem (CID 15047491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).