5-(3-fluorophenyl)-6-hydroxy-1-(2-methoxyethyl)pyrimidine-2,4-dione

C13H13FN2O4 — CID 115945957

IUPAC5-(3-fluorophenyl)-6-hydroxy-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1c(O)c(-c2cccc(F)c2)c(=O)[nH]c1=O
InChIInChI=1S/C13H13FN2O4/c1-20-6-5-16-12(18)10(11(17)15-13(16)19)8-3-2-4-9(14)7-8/h2-4,7,18H,5-6H2,1H3,(H,15,17,19)
InChIKeyXSKJQARADXZPPW-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.69
Rot. Bonds4

About 5-(3-fluorophenyl)-6-hydroxy-1-(2-methoxyethyl)pyrimidine-2,4-dione

5-(3-fluorophenyl)-6-hydroxy-1-(2-methoxyethyl)pyrimidine-2,4-dione (PubChem CID 115945957) has the molecular formula C13H13FN2O4 and a molecular weight of 280.25 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-6-hydroxy-1-(2-methoxyethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3-fluorophenyl)-6-hydroxy-1-(2-methoxyethyl)pyrimidine-2,4-dione
PubChem CID115945957
Molecular FormulaC13H13FN2O4
Molecular Weight280.25 g/mol
Exact Mass280.09
IUPAC Name5-(3-fluorophenyl)-6-hydroxy-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1c(O)c(-c2cccc(F)c2)c(=O)[nH]c1=O
InChIInChI=1S/C13H13FN2O4/c1-20-6-5-16-12(18)10(11(17)15-13(16)19)8-3-2-4-9(14)7-8/h2-4,7,18H,5-6H2,1H3,(H,15,17,19)
InChIKeyXSKJQARADXZPPW-UHFFFAOYSA-N
XLogP0.69
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-6-hydroxy-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-(3-fluorophenyl)-6-hydroxy-1-(2-methoxyethyl)pyrimidine-2,4-dione (CID 115945957) is 5-(3-fluorophenyl)-6-hydroxy-1-(2-methoxyethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3-fluorophenyl)-6-hydroxy-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-(3-fluorophenyl)-6-hydroxy-1-(2-methoxyethyl)pyrimidine-2,4-dione is COCCn1c(O)c(-c2cccc(F)c2)c(=O)[nH]c1=O.
What is the InChIKey of 5-(3-fluorophenyl)-6-hydroxy-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The InChIKey is XSKJQARADXZPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O4/c1-20-6-5-16-12(18)10(11(17)15-13(16)19)8-3-2-4-9(14)7-8/h2-4,7,18H,5-6H2,1H3,(H,15,17,19).
What are the key properties of 5-(3-fluorophenyl)-6-hydroxy-1-(2-methoxyethyl)pyrimidine-2,4-dione?
5-(3-fluorophenyl)-6-hydroxy-1-(2-methoxyethyl)pyrimidine-2,4-dione has a molecular weight of 280.25 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-6-hydroxy-1-(2-methoxyethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 115945957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).