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

C15H14N2O5 — CID 19927486

IUPAC7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methyl-3H-2-benzofuran-1-one
SMILESCOc1cc(OC)nc(Oc2cccc3c2C(=O)OC3C)n1
InChIInChI=1S/C15H14N2O5/c1-8-9-5-4-6-10(13(9)14(18)21-8)22-15-16-11(19-2)7-12(17-15)20-3/h4-8H,1-3H3
InChIKeySVQCSALZXQAAJR-UHFFFAOYSA-N
MW302.29 g/mol
LogP2.52
Rot. Bonds4

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

7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methyl-3H-2-benzofuran-1-one (PubChem CID 19927486) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is 7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methyl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methyl-3H-2-benzofuran-1-one
PubChem CID19927486
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methyl-3H-2-benzofuran-1-one
SMILESCOc1cc(OC)nc(Oc2cccc3c2C(=O)OC3C)n1
InChIInChI=1S/C15H14N2O5/c1-8-9-5-4-6-10(13(9)14(18)21-8)22-15-16-11(19-2)7-12(17-15)20-3/h4-8H,1-3H3
InChIKeySVQCSALZXQAAJR-UHFFFAOYSA-N
XLogP2.52
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.52
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-3-methyl-3H-2-benzofuran-1-one?
The IUPAC name of 7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methyl-3H-2-benzofuran-1-one (CID 19927486) is 7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methyl-3H-2-benzofuran-1-one.
What is the SMILES notation for 7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methyl-3H-2-benzofuran-1-one?
The canonical SMILES for 7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methyl-3H-2-benzofuran-1-one is COc1cc(OC)nc(Oc2cccc3c2C(=O)OC3C)n1.
What is the InChIKey of 7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methyl-3H-2-benzofuran-1-one?
The InChIKey is SVQCSALZXQAAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-8-9-5-4-6-10(13(9)14(18)21-8)22-15-16-11(19-2)7-12(17-15)20-3/h4-8H,1-3H3.
What are the key properties of 7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methyl-3H-2-benzofuran-1-one?
7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methyl-3H-2-benzofuran-1-one has a molecular weight of 302.29 g/mol, XLogP of 2.52, 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-3-methyl-3H-2-benzofuran-1-one is sourced from PubChem (CID 19927486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).