methyl 2-(5-hydroxy-2-methylpyrimidin-4-yl)oxyacetate

C8H10N2O4 — CID 18619143

IUPACmethyl 2-(5-hydroxy-2-methylpyrimidin-4-yl)oxyacetate
SMILESCOC(=O)COc1nc(C)ncc1O
InChIInChI=1S/C8H10N2O4/c1-5-9-3-6(11)8(10-5)14-4-7(12)13-2/h3,11H,4H2,1-2H3
InChIKeyBYTGVZXXZYUNGZ-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.04
Rot. Bonds3

About methyl 2-(5-hydroxy-2-methylpyrimidin-4-yl)oxyacetate

methyl 2-(5-hydroxy-2-methylpyrimidin-4-yl)oxyacetate (PubChem CID 18619143) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is methyl 2-(5-hydroxy-2-methylpyrimidin-4-yl)oxyacetate.

Molecular Properties

Compound Namemethyl 2-(5-hydroxy-2-methylpyrimidin-4-yl)oxyacetate
PubChem CID18619143
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Namemethyl 2-(5-hydroxy-2-methylpyrimidin-4-yl)oxyacetate
SMILESCOC(=O)COc1nc(C)ncc1O
InChIInChI=1S/C8H10N2O4/c1-5-9-3-6(11)8(10-5)14-4-7(12)13-2/h3,11H,4H2,1-2H3
InChIKeyBYTGVZXXZYUNGZ-UHFFFAOYSA-N
XLogP0.04
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-hydroxy-2-methylpyrimidin-4-yl)oxyacetate?
The IUPAC name of methyl 2-(5-hydroxy-2-methylpyrimidin-4-yl)oxyacetate (CID 18619143) is methyl 2-(5-hydroxy-2-methylpyrimidin-4-yl)oxyacetate.
What is the SMILES notation for methyl 2-(5-hydroxy-2-methylpyrimidin-4-yl)oxyacetate?
The canonical SMILES for methyl 2-(5-hydroxy-2-methylpyrimidin-4-yl)oxyacetate is COC(=O)COc1nc(C)ncc1O.
What is the InChIKey of methyl 2-(5-hydroxy-2-methylpyrimidin-4-yl)oxyacetate?
The InChIKey is BYTGVZXXZYUNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-5-9-3-6(11)8(10-5)14-4-7(12)13-2/h3,11H,4H2,1-2H3.
What are the key properties of methyl 2-(5-hydroxy-2-methylpyrimidin-4-yl)oxyacetate?
methyl 2-(5-hydroxy-2-methylpyrimidin-4-yl)oxyacetate has a molecular weight of 198.18 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-hydroxy-2-methylpyrimidin-4-yl)oxyacetate is sourced from PubChem (CID 18619143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).