1-(3-methoxy-4-pyrimidin-2-yloxyphenyl)ethanone

C13H12N2O3 — CID 2608255

IUPAC1-(3-methoxy-4-pyrimidin-2-yloxyphenyl)ethanone
SMILESCOc1cc(C(C)=O)ccc1Oc1ncccn1
InChIInChI=1S/C13H12N2O3/c1-9(16)10-4-5-11(12(8-10)17-2)18-13-14-6-3-7-15-13/h3-8H,1-2H3
InChIKeyABODJUXNZBGFRS-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.48
Rot. Bonds4

About 1-(3-methoxy-4-pyrimidin-2-yloxyphenyl)ethanone

1-(3-methoxy-4-pyrimidin-2-yloxyphenyl)ethanone (PubChem CID 2608255) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 1-(3-methoxy-4-pyrimidin-2-yloxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-methoxy-4-pyrimidin-2-yloxyphenyl)ethanone
PubChem CID2608255
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name1-(3-methoxy-4-pyrimidin-2-yloxyphenyl)ethanone
SMILESCOc1cc(C(C)=O)ccc1Oc1ncccn1
InChIInChI=1S/C13H12N2O3/c1-9(16)10-4-5-11(12(8-10)17-2)18-13-14-6-3-7-15-13/h3-8H,1-2H3
InChIKeyABODJUXNZBGFRS-UHFFFAOYSA-N
XLogP2.48
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-pyrimidin-2-yloxyphenyl)ethanone?
The IUPAC name of 1-(3-methoxy-4-pyrimidin-2-yloxyphenyl)ethanone (CID 2608255) is 1-(3-methoxy-4-pyrimidin-2-yloxyphenyl)ethanone.
What is the SMILES notation for 1-(3-methoxy-4-pyrimidin-2-yloxyphenyl)ethanone?
The canonical SMILES for 1-(3-methoxy-4-pyrimidin-2-yloxyphenyl)ethanone is COc1cc(C(C)=O)ccc1Oc1ncccn1.
What is the InChIKey of 1-(3-methoxy-4-pyrimidin-2-yloxyphenyl)ethanone?
The InChIKey is ABODJUXNZBGFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-9(16)10-4-5-11(12(8-10)17-2)18-13-14-6-3-7-15-13/h3-8H,1-2H3.
What are the key properties of 1-(3-methoxy-4-pyrimidin-2-yloxyphenyl)ethanone?
1-(3-methoxy-4-pyrimidin-2-yloxyphenyl)ethanone has a molecular weight of 244.25 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-pyrimidin-2-yloxyphenyl)ethanone is sourced from PubChem (CID 2608255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).