(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(4-methylphenyl)butanoate

C16H17FN2O4 — CID 170116222

IUPAC(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(4-methylphenyl)butanoate
SMILESCc1ccc(CCCC(=O)OCn2cc(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C16H17FN2O4/c1-11-5-7-12(8-6-11)3-2-4-14(20)23-10-19-9-13(17)15(21)18-16(19)22/h5-9H,2-4,10H2,1H3,(H,18,21,22)
InChIKeyYCOBCAKFFZRHFZ-UHFFFAOYSA-N
MW320.32 g/mol
LogP1.51
Rot. Bonds6

About (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(4-methylphenyl)butanoate

(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(4-methylphenyl)butanoate (PubChem CID 170116222) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(4-methylphenyl)butanoate.

Molecular Properties

Compound Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(4-methylphenyl)butanoate
PubChem CID170116222
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(4-methylphenyl)butanoate
SMILESCc1ccc(CCCC(=O)OCn2cc(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C16H17FN2O4/c1-11-5-7-12(8-6-11)3-2-4-14(20)23-10-19-9-13(17)15(21)18-16(19)22/h5-9H,2-4,10H2,1H3,(H,18,21,22)
InChIKeyYCOBCAKFFZRHFZ-UHFFFAOYSA-N
XLogP1.51
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(4-methylphenyl)butanoate?
The IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(4-methylphenyl)butanoate (CID 170116222) is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(4-methylphenyl)butanoate.
What is the SMILES notation for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(4-methylphenyl)butanoate?
The canonical SMILES for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(4-methylphenyl)butanoate is Cc1ccc(CCCC(=O)OCn2cc(F)c(=O)[nH]c2=O)cc1.
What is the InChIKey of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(4-methylphenyl)butanoate?
The InChIKey is YCOBCAKFFZRHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4/c1-11-5-7-12(8-6-11)3-2-4-14(20)23-10-19-9-13(17)15(21)18-16(19)22/h5-9H,2-4,10H2,1H3,(H,18,21,22).
What are the key properties of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(4-methylphenyl)butanoate?
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(4-methylphenyl)butanoate has a molecular weight of 320.32 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(4-methylphenyl)butanoate is sourced from PubChem (CID 170116222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).