methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoate

C11H16N2O5 — CID 52934245

IUPACmethyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoate
SMILESCOC(=O)C(C)(C)Oc1nc(OC)cc(OC)n1
InChIInChI=1S/C11H16N2O5/c1-11(2,9(14)17-5)18-10-12-7(15-3)6-8(13-10)16-4/h6H,1-5H3
InChIKeyJHNLWAJWYQUTCY-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.82
Rot. Bonds5

About methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoate

methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoate (PubChem CID 52934245) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoate
PubChem CID52934245
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Namemethyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoate
SMILESCOC(=O)C(C)(C)Oc1nc(OC)cc(OC)n1
InChIInChI=1S/C11H16N2O5/c1-11(2,9(14)17-5)18-10-12-7(15-3)6-8(13-10)16-4/h6H,1-5H3
InChIKeyJHNLWAJWYQUTCY-UHFFFAOYSA-N
XLogP0.82
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoate?
The IUPAC name of methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoate (CID 52934245) is methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoate.
What is the SMILES notation for methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoate?
The canonical SMILES for methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoate is COC(=O)C(C)(C)Oc1nc(OC)cc(OC)n1.
What is the InChIKey of methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoate?
The InChIKey is JHNLWAJWYQUTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-11(2,9(14)17-5)18-10-12-7(15-3)6-8(13-10)16-4/h6H,1-5H3.
What are the key properties of methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoate?
methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoate has a molecular weight of 256.26 g/mol, XLogP of 0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylpropanoate is sourced from PubChem (CID 52934245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).