7-(4,6-dimethoxypyrimidin-2-yl)oxy-3H-2-benzofuran-1-one

C14H12N2O5 — CID 19927446

IUPAC7-(4,6-dimethoxypyrimidin-2-yl)oxy-3H-2-benzofuran-1-one
SMILESCOc1cc(OC)nc(Oc2cccc3c2C(=O)OC3)n1
InChIInChI=1S/C14H12N2O5/c1-18-10-6-11(19-2)16-14(15-10)21-9-5-3-4-8-7-20-13(17)12(8)9/h3-6H,7H2,1-2H3
InChIKeyNRLIADABRLRVQK-UHFFFAOYSA-N
MW288.26 g/mol
LogP1.96
Rot. Bonds4

About 7-(4,6-dimethoxypyrimidin-2-yl)oxy-3H-2-benzofuran-1-one

7-(4,6-dimethoxypyrimidin-2-yl)oxy-3H-2-benzofuran-1-one (PubChem CID 19927446) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is 7-(4,6-dimethoxypyrimidin-2-yl)oxy-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name7-(4,6-dimethoxypyrimidin-2-yl)oxy-3H-2-benzofuran-1-one
PubChem CID19927446
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name7-(4,6-dimethoxypyrimidin-2-yl)oxy-3H-2-benzofuran-1-one
SMILESCOc1cc(OC)nc(Oc2cccc3c2C(=O)OC3)n1
InChIInChI=1S/C14H12N2O5/c1-18-10-6-11(19-2)16-14(15-10)21-9-5-3-4-8-7-20-13(17)12(8)9/h3-6H,7H2,1-2H3
InChIKeyNRLIADABRLRVQK-UHFFFAOYSA-N
XLogP1.96
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(4,6-dimethoxypyrimidin-2-yl)oxy-3H-2-benzofuran-1-one?
The IUPAC name of 7-(4,6-dimethoxypyrimidin-2-yl)oxy-3H-2-benzofuran-1-one (CID 19927446) is 7-(4,6-dimethoxypyrimidin-2-yl)oxy-3H-2-benzofuran-1-one.
What is the SMILES notation for 7-(4,6-dimethoxypyrimidin-2-yl)oxy-3H-2-benzofuran-1-one?
The canonical SMILES for 7-(4,6-dimethoxypyrimidin-2-yl)oxy-3H-2-benzofuran-1-one is COc1cc(OC)nc(Oc2cccc3c2C(=O)OC3)n1.
What is the InChIKey of 7-(4,6-dimethoxypyrimidin-2-yl)oxy-3H-2-benzofuran-1-one?
The InChIKey is NRLIADABRLRVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-18-10-6-11(19-2)16-14(15-10)21-9-5-3-4-8-7-20-13(17)12(8)9/h3-6H,7H2,1-2H3.
What are the key properties of 7-(4,6-dimethoxypyrimidin-2-yl)oxy-3H-2-benzofuran-1-one?
7-(4,6-dimethoxypyrimidin-2-yl)oxy-3H-2-benzofuran-1-one has a molecular weight of 288.26 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,6-dimethoxypyrimidin-2-yl)oxy-3H-2-benzofuran-1-one is sourced from PubChem (CID 19927446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).