5-fluoro-1-[(E)-4-(2-hydroxyphenyl)-1-methoxybut-3-enyl]pyrimidine-2,4-dione

C15H15FN2O4 — CID 24752800

IUPAC5-fluoro-1-[(E)-4-(2-hydroxyphenyl)-1-methoxybut-3-enyl]pyrimidine-2,4-dione
SMILESCOC(C/C=C/c1ccccc1O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C15H15FN2O4/c1-22-13(18-9-11(16)14(20)17-15(18)21)8-4-6-10-5-2-3-7-12(10)19/h2-7,9,13,19H,8H2,1H3,(H,17,20,21)/b6-4+
InChIKeyMZBJTPQSCPNZGN-GQCTYLIASA-N
MW306.29 g/mol
LogP1.63
Rot. Bonds5

About 5-fluoro-1-[(E)-4-(2-hydroxyphenyl)-1-methoxybut-3-enyl]pyrimidine-2,4-dione

5-fluoro-1-[(E)-4-(2-hydroxyphenyl)-1-methoxybut-3-enyl]pyrimidine-2,4-dione (PubChem CID 24752800) has the molecular formula C15H15FN2O4 and a molecular weight of 306.29 g/mol. Its IUPAC name is 5-fluoro-1-[(E)-4-(2-hydroxyphenyl)-1-methoxybut-3-enyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[(E)-4-(2-hydroxyphenyl)-1-methoxybut-3-enyl]pyrimidine-2,4-dione
PubChem CID24752800
Molecular FormulaC15H15FN2O4
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name5-fluoro-1-[(E)-4-(2-hydroxyphenyl)-1-methoxybut-3-enyl]pyrimidine-2,4-dione
SMILESCOC(C/C=C/c1ccccc1O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C15H15FN2O4/c1-22-13(18-9-11(16)14(20)17-15(18)21)8-4-6-10-5-2-3-7-12(10)19/h2-7,9,13,19H,8H2,1H3,(H,17,20,21)/b6-4+
InChIKeyMZBJTPQSCPNZGN-GQCTYLIASA-N
XLogP1.63
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-1-[(E)-4-(2-hydroxyphenyl)-1-methoxybut-3-enyl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(E)-4-(2-hydroxyphenyl)-1-methoxybut-3-enyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[(E)-4-(2-hydroxyphenyl)-1-methoxybut-3-enyl]pyrimidine-2,4-dione (CID 24752800) is 5-fluoro-1-[(E)-4-(2-hydroxyphenyl)-1-methoxybut-3-enyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[(E)-4-(2-hydroxyphenyl)-1-methoxybut-3-enyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[(E)-4-(2-hydroxyphenyl)-1-methoxybut-3-enyl]pyrimidine-2,4-dione is COC(C/C=C/c1ccccc1O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-1-[(E)-4-(2-hydroxyphenyl)-1-methoxybut-3-enyl]pyrimidine-2,4-dione?
The InChIKey is MZBJTPQSCPNZGN-GQCTYLIASA-N. The full InChI is InChI=1S/C15H15FN2O4/c1-22-13(18-9-11(16)14(20)17-15(18)21)8-4-6-10-5-2-3-7-12(10)19/h2-7,9,13,19H,8H2,1H3,(H,17,20,21)/b6-4+.
What are the key properties of 5-fluoro-1-[(E)-4-(2-hydroxyphenyl)-1-methoxybut-3-enyl]pyrimidine-2,4-dione?
5-fluoro-1-[(E)-4-(2-hydroxyphenyl)-1-methoxybut-3-enyl]pyrimidine-2,4-dione has a molecular weight of 306.29 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(E)-4-(2-hydroxyphenyl)-1-methoxybut-3-enyl]pyrimidine-2,4-dione is sourced from PubChem (CID 24752800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).