5-fluoro-1-[4-(2-hydroxyphenyl)-1-methoxybutyl]pyrimidine-2,4-dione

C15H17FN2O4 — CID 90731633

IUPAC5-fluoro-1-[4-(2-hydroxyphenyl)-1-methoxybutyl]pyrimidine-2,4-dione
SMILESCOC(CCCc1ccccc1O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C15H17FN2O4/c1-22-13(18-9-11(16)14(20)17-15(18)21)8-4-6-10-5-2-3-7-12(10)19/h2-3,5,7,9,13,19H,4,6,8H2,1H3,(H,17,20,21)
InChIKeyPMUBLHKGEYNQDE-UHFFFAOYSA-N
MW308.31 g/mol
LogP1.55
Rot. Bonds6

About 5-fluoro-1-[4-(2-hydroxyphenyl)-1-methoxybutyl]pyrimidine-2,4-dione

5-fluoro-1-[4-(2-hydroxyphenyl)-1-methoxybutyl]pyrimidine-2,4-dione (PubChem CID 90731633) has the molecular formula C15H17FN2O4 and a molecular weight of 308.31 g/mol. Its IUPAC name is 5-fluoro-1-[4-(2-hydroxyphenyl)-1-methoxybutyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[4-(2-hydroxyphenyl)-1-methoxybutyl]pyrimidine-2,4-dione
PubChem CID90731633
Molecular FormulaC15H17FN2O4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Name5-fluoro-1-[4-(2-hydroxyphenyl)-1-methoxybutyl]pyrimidine-2,4-dione
SMILESCOC(CCCc1ccccc1O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C15H17FN2O4/c1-22-13(18-9-11(16)14(20)17-15(18)21)8-4-6-10-5-2-3-7-12(10)19/h2-3,5,7,9,13,19H,4,6,8H2,1H3,(H,17,20,21)
InChIKeyPMUBLHKGEYNQDE-UHFFFAOYSA-N
XLogP1.55
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[4-(2-hydroxyphenyl)-1-methoxybutyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[4-(2-hydroxyphenyl)-1-methoxybutyl]pyrimidine-2,4-dione (CID 90731633) is 5-fluoro-1-[4-(2-hydroxyphenyl)-1-methoxybutyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[4-(2-hydroxyphenyl)-1-methoxybutyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[4-(2-hydroxyphenyl)-1-methoxybutyl]pyrimidine-2,4-dione is COC(CCCc1ccccc1O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-1-[4-(2-hydroxyphenyl)-1-methoxybutyl]pyrimidine-2,4-dione?
The InChIKey is PMUBLHKGEYNQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O4/c1-22-13(18-9-11(16)14(20)17-15(18)21)8-4-6-10-5-2-3-7-12(10)19/h2-3,5,7,9,13,19H,4,6,8H2,1H3,(H,17,20,21).
What are the key properties of 5-fluoro-1-[4-(2-hydroxyphenyl)-1-methoxybutyl]pyrimidine-2,4-dione?
5-fluoro-1-[4-(2-hydroxyphenyl)-1-methoxybutyl]pyrimidine-2,4-dione has a molecular weight of 308.31 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[4-(2-hydroxyphenyl)-1-methoxybutyl]pyrimidine-2,4-dione is sourced from PubChem (CID 90731633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).