5-(4-methoxyphenoxy)-1H-pyrimidin-2-one

C11H10N2O3 — CID 12661832

IUPAC5-(4-methoxyphenoxy)-1H-pyrimidin-2-one
SMILESCOc1ccc(Oc2cnc(=O)[nH]c2)cc1
InChIInChI=1S/C11H10N2O3/c1-15-8-2-4-9(5-3-8)16-10-6-12-11(14)13-7-10/h2-7H,1H3,(H,12,13,14)
InChIKeyGTOSHKSREXVPCQ-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.57
Rot. Bonds3

About 5-(4-methoxyphenoxy)-1H-pyrimidin-2-one

5-(4-methoxyphenoxy)-1H-pyrimidin-2-one (PubChem CID 12661832) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 5-(4-methoxyphenoxy)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(4-methoxyphenoxy)-1H-pyrimidin-2-one
PubChem CID12661832
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name5-(4-methoxyphenoxy)-1H-pyrimidin-2-one
SMILESCOc1ccc(Oc2cnc(=O)[nH]c2)cc1
InChIInChI=1S/C11H10N2O3/c1-15-8-2-4-9(5-3-8)16-10-6-12-11(14)13-7-10/h2-7H,1H3,(H,12,13,14)
InChIKeyGTOSHKSREXVPCQ-UHFFFAOYSA-N
XLogP1.57
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenoxy)-1H-pyrimidin-2-one?
The IUPAC name of 5-(4-methoxyphenoxy)-1H-pyrimidin-2-one (CID 12661832) is 5-(4-methoxyphenoxy)-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(4-methoxyphenoxy)-1H-pyrimidin-2-one?
The canonical SMILES for 5-(4-methoxyphenoxy)-1H-pyrimidin-2-one is COc1ccc(Oc2cnc(=O)[nH]c2)cc1.
What is the InChIKey of 5-(4-methoxyphenoxy)-1H-pyrimidin-2-one?
The InChIKey is GTOSHKSREXVPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-15-8-2-4-9(5-3-8)16-10-6-12-11(14)13-7-10/h2-7H,1H3,(H,12,13,14).
What are the key properties of 5-(4-methoxyphenoxy)-1H-pyrimidin-2-one?
5-(4-methoxyphenoxy)-1H-pyrimidin-2-one has a molecular weight of 218.21 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenoxy)-1H-pyrimidin-2-one is sourced from PubChem (CID 12661832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).