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

C15H16N2O5 — CID 3494146

IUPACethyl 4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate
SMILESCCOC(=O)c1ccc(Oc2nc(OC)cc(OC)n2)cc1
InChIInChI=1S/C15H16N2O5/c1-4-21-14(18)10-5-7-11(8-6-10)22-15-16-12(19-2)9-13(17-15)20-3/h5-9H,4H2,1-3H3
InChIKeyYSKXSFRWEVTIPW-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.46
Rot. Bonds6

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

ethyl 4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate (PubChem CID 3494146) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is ethyl 4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate.

Molecular Properties

Compound Nameethyl 4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate
PubChem CID3494146
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Nameethyl 4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate
SMILESCCOC(=O)c1ccc(Oc2nc(OC)cc(OC)n2)cc1
InChIInChI=1S/C15H16N2O5/c1-4-21-14(18)10-5-7-11(8-6-10)22-15-16-12(19-2)9-13(17-15)20-3/h5-9H,4H2,1-3H3
InChIKeyYSKXSFRWEVTIPW-UHFFFAOYSA-N
XLogP2.46
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate?
The IUPAC name of ethyl 4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate (CID 3494146) is ethyl 4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate.
What is the SMILES notation for ethyl 4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate?
The canonical SMILES for ethyl 4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate is CCOC(=O)c1ccc(Oc2nc(OC)cc(OC)n2)cc1.
What is the InChIKey of ethyl 4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate?
The InChIKey is YSKXSFRWEVTIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-4-21-14(18)10-5-7-11(8-6-10)22-15-16-12(19-2)9-13(17-15)20-3/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate?
ethyl 4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate has a molecular weight of 304.30 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate is sourced from PubChem (CID 3494146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).