4-(4-methoxyphenoxy)-1H-pyrimidin-6-one

C11H10N2O3 — CID 103241207

IUPAC4-(4-methoxyphenoxy)-1H-pyrimidin-6-one
SMILESCOc1ccc(Oc2cc(=O)[nH]cn2)cc1
InChIInChI=1S/C11H10N2O3/c1-15-8-2-4-9(5-3-8)16-11-6-10(14)12-7-13-11/h2-7H,1H3,(H,12,13,14)
InChIKeyCANGFPXFWXUNGL-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.57
Rot. Bonds3

About 4-(4-methoxyphenoxy)-1H-pyrimidin-6-one

4-(4-methoxyphenoxy)-1H-pyrimidin-6-one (PubChem CID 103241207) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-1H-pyrimidin-6-one
PubChem CID103241207
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name4-(4-methoxyphenoxy)-1H-pyrimidin-6-one
SMILESCOc1ccc(Oc2cc(=O)[nH]cn2)cc1
InChIInChI=1S/C11H10N2O3/c1-15-8-2-4-9(5-3-8)16-11-6-10(14)12-7-13-11/h2-7H,1H3,(H,12,13,14)
InChIKeyCANGFPXFWXUNGL-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 4-(4-methoxyphenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-methoxyphenoxy)-1H-pyrimidin-6-one (CID 103241207) is 4-(4-methoxyphenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-methoxyphenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-methoxyphenoxy)-1H-pyrimidin-6-one is COc1ccc(Oc2cc(=O)[nH]cn2)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-1H-pyrimidin-6-one?
The InChIKey is CANGFPXFWXUNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-15-8-2-4-9(5-3-8)16-11-6-10(14)12-7-13-11/h2-7H,1H3,(H,12,13,14).
What are the key properties of 4-(4-methoxyphenoxy)-1H-pyrimidin-6-one?
4-(4-methoxyphenoxy)-1H-pyrimidin-6-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 4-(4-methoxyphenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).