5-(3-fluorophenyl)-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione

C13H11FN2O3 — CID 112599485

IUPAC5-(3-fluorophenyl)-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(O)c(-c2cccc(F)c2)c(=O)[nH]c1=O
InChIInChI=1S/C13H11FN2O3/c1-2-6-16-12(18)10(11(17)15-13(16)19)8-4-3-5-9(14)7-8/h2-5,7,18H,1,6H2,(H,15,17,19)
InChIKeyPHOFKNXFBUDJKG-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.23
Rot. Bonds3

About 5-(3-fluorophenyl)-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione

5-(3-fluorophenyl)-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione (PubChem CID 112599485) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3-fluorophenyl)-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione
PubChem CID112599485
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name5-(3-fluorophenyl)-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(O)c(-c2cccc(F)c2)c(=O)[nH]c1=O
InChIInChI=1S/C13H11FN2O3/c1-2-6-16-12(18)10(11(17)15-13(16)19)8-4-3-5-9(14)7-8/h2-5,7,18H,1,6H2,(H,15,17,19)
InChIKeyPHOFKNXFBUDJKG-UHFFFAOYSA-N
XLogP1.23
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione?
The IUPAC name of 5-(3-fluorophenyl)-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione (CID 112599485) is 5-(3-fluorophenyl)-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(3-fluorophenyl)-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione?
The canonical SMILES for 5-(3-fluorophenyl)-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione is C=CCn1c(O)c(-c2cccc(F)c2)c(=O)[nH]c1=O.
What is the InChIKey of 5-(3-fluorophenyl)-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione?
The InChIKey is PHOFKNXFBUDJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-2-6-16-12(18)10(11(17)15-13(16)19)8-4-3-5-9(14)7-8/h2-5,7,18H,1,6H2,(H,15,17,19).
What are the key properties of 5-(3-fluorophenyl)-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione?
5-(3-fluorophenyl)-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione has a molecular weight of 262.24 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione is sourced from PubChem (CID 112599485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).