2-(ethoxymethyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one

C13H13FN2O3 — CID 79437519

IUPAC2-(ethoxymethyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOCc1nc(O)c(-c2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C13H13FN2O3/c1-2-19-7-10-15-12(17)11(13(18)16-10)8-3-5-9(14)6-4-8/h3-6H,2,7H2,1H3,(H2,15,16,17,18)
InChIKeyARCRGXZZTRYTAU-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.82
Rot. Bonds4

About 2-(ethoxymethyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one

2-(ethoxymethyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 79437519) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is 2-(ethoxymethyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(ethoxymethyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID79437519
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name2-(ethoxymethyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOCc1nc(O)c(-c2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C13H13FN2O3/c1-2-19-7-10-15-12(17)11(13(18)16-10)8-3-5-9(14)6-4-8/h3-6H,2,7H2,1H3,(H2,15,16,17,18)
InChIKeyARCRGXZZTRYTAU-UHFFFAOYSA-N
XLogP1.82
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(ethoxymethyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 79437519) is 2-(ethoxymethyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(ethoxymethyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(ethoxymethyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is CCOCc1nc(O)c(-c2ccc(F)cc2)c(=O)[nH]1.
What is the InChIKey of 2-(ethoxymethyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is ARCRGXZZTRYTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-2-19-7-10-15-12(17)11(13(18)16-10)8-3-5-9(14)6-4-8/h3-6H,2,7H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-(ethoxymethyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(ethoxymethyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 264.26 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 79437519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).