methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate

C14H14N2O5 — CID 4157470

IUPACmethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate
SMILESCOC(=O)c1cccc(Oc2nc(OC)cc(OC)n2)c1
InChIInChI=1S/C14H14N2O5/c1-18-11-8-12(19-2)16-14(15-11)21-10-6-4-5-9(7-10)13(17)20-3/h4-8H,1-3H3
InChIKeySRYXQTMUMSOKQT-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.07
Rot. Bonds5

About methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate

methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate (PubChem CID 4157470) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate.

Molecular Properties

Compound Namemethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate
PubChem CID4157470
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Namemethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate
SMILESCOC(=O)c1cccc(Oc2nc(OC)cc(OC)n2)c1
InChIInChI=1S/C14H14N2O5/c1-18-11-8-12(19-2)16-14(15-11)21-10-6-4-5-9(7-10)13(17)20-3/h4-8H,1-3H3
InChIKeySRYXQTMUMSOKQT-UHFFFAOYSA-N
XLogP2.07
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate?
The IUPAC name of methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate (CID 4157470) is methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate.
What is the SMILES notation for methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate?
The canonical SMILES for methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate is COC(=O)c1cccc(Oc2nc(OC)cc(OC)n2)c1.
What is the InChIKey of methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate?
The InChIKey is SRYXQTMUMSOKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-18-11-8-12(19-2)16-14(15-11)21-10-6-4-5-9(7-10)13(17)20-3/h4-8H,1-3H3.
What are the key properties of methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate?
methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate has a molecular weight of 290.28 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate is sourced from PubChem (CID 4157470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).