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

C9H12N2O4 — CID 18619228

IUPACmethyl 2-(5-hydroxy-2-methylpyrimidin-4-yl)oxypropanoate
SMILESCOC(=O)C(C)Oc1nc(C)ncc1O
InChIInChI=1S/C9H12N2O4/c1-5(9(13)14-3)15-8-7(12)4-10-6(2)11-8/h4-5,12H,1-3H3
InChIKeyIPYKMUGTADGBAE-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.43
Rot. Bonds3

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

methyl 2-(5-hydroxy-2-methylpyrimidin-4-yl)oxypropanoate (PubChem CID 18619228) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is methyl 2-(5-hydroxy-2-methylpyrimidin-4-yl)oxypropanoate.

Molecular Properties

Compound Namemethyl 2-(5-hydroxy-2-methylpyrimidin-4-yl)oxypropanoate
PubChem CID18619228
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Namemethyl 2-(5-hydroxy-2-methylpyrimidin-4-yl)oxypropanoate
SMILESCOC(=O)C(C)Oc1nc(C)ncc1O
InChIInChI=1S/C9H12N2O4/c1-5(9(13)14-3)15-8-7(12)4-10-6(2)11-8/h4-5,12H,1-3H3
InChIKeyIPYKMUGTADGBAE-UHFFFAOYSA-N
XLogP0.43
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.43
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)oxypropanoate?
The IUPAC name of methyl 2-(5-hydroxy-2-methylpyrimidin-4-yl)oxypropanoate (CID 18619228) is methyl 2-(5-hydroxy-2-methylpyrimidin-4-yl)oxypropanoate.
What is the SMILES notation for methyl 2-(5-hydroxy-2-methylpyrimidin-4-yl)oxypropanoate?
The canonical SMILES for methyl 2-(5-hydroxy-2-methylpyrimidin-4-yl)oxypropanoate is COC(=O)C(C)Oc1nc(C)ncc1O.
What is the InChIKey of methyl 2-(5-hydroxy-2-methylpyrimidin-4-yl)oxypropanoate?
The InChIKey is IPYKMUGTADGBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-5(9(13)14-3)15-8-7(12)4-10-6(2)11-8/h4-5,12H,1-3H3.
What are the key properties of methyl 2-(5-hydroxy-2-methylpyrimidin-4-yl)oxypropanoate?
methyl 2-(5-hydroxy-2-methylpyrimidin-4-yl)oxypropanoate has a molecular weight of 212.20 g/mol, XLogP of 0.43, 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)oxypropanoate is sourced from PubChem (CID 18619228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).