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

C14H14N2O5 — CID 1214860

IUPACmethyl 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate
SMILESCOC(=O)c1ccccc1Oc1nc(OC)cc(OC)n1
InChIInChI=1S/C14H14N2O5/c1-18-11-8-12(19-2)16-14(15-11)21-10-7-5-4-6-9(10)13(17)20-3/h4-8H,1-3H3
InChIKeyVSKPNJHIWOZOCQ-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.07
Rot. Bonds5

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

methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate (PubChem CID 1214860) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate.

Molecular Properties

Compound Namemethyl 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate
PubChem CID1214860
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Namemethyl 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate
SMILESCOC(=O)c1ccccc1Oc1nc(OC)cc(OC)n1
InChIInChI=1S/C14H14N2O5/c1-18-11-8-12(19-2)16-14(15-11)21-10-7-5-4-6-9(10)13(17)20-3/h4-8H,1-3H3
InChIKeyVSKPNJHIWOZOCQ-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 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate?
The IUPAC name of methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate (CID 1214860) is methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate.
What is the SMILES notation for methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate?
The canonical SMILES for methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate is COC(=O)c1ccccc1Oc1nc(OC)cc(OC)n1.
What is the InChIKey of methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate?
The InChIKey is VSKPNJHIWOZOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-18-11-8-12(19-2)16-14(15-11)21-10-7-5-4-6-9(10)13(17)20-3/h4-8H,1-3H3.
What are the key properties of methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate?
methyl 2-(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 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate is sourced from PubChem (CID 1214860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).