1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 4,4-dimethylpentanoate

C14H21FN2O4 — CID 121459562

IUPAC1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 4,4-dimethylpentanoate
SMILESCCC(OC(=O)CCC(C)(C)C)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C14H21FN2O4/c1-5-10(21-11(18)6-7-14(2,3)4)17-8-9(15)12(19)16-13(17)20/h8,10H,5-7H2,1-4H3,(H,16,19,20)
InChIKeyWMWAUMPTSYUKBH-UHFFFAOYSA-N
MW300.33 g/mol
LogP1.95
Rot. Bonds5

About 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 4,4-dimethylpentanoate

1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 4,4-dimethylpentanoate (PubChem CID 121459562) has the molecular formula C14H21FN2O4 and a molecular weight of 300.33 g/mol. Its IUPAC name is 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 4,4-dimethylpentanoate.

Molecular Properties

Compound Name1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 4,4-dimethylpentanoate
PubChem CID121459562
Molecular FormulaC14H21FN2O4
Molecular Weight300.33 g/mol
Exact Mass300.15
IUPAC Name1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 4,4-dimethylpentanoate
SMILESCCC(OC(=O)CCC(C)(C)C)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C14H21FN2O4/c1-5-10(21-11(18)6-7-14(2,3)4)17-8-9(15)12(19)16-13(17)20/h8,10H,5-7H2,1-4H3,(H,16,19,20)
InChIKeyWMWAUMPTSYUKBH-UHFFFAOYSA-N
XLogP1.95
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 4,4-dimethylpentanoate?
The IUPAC name of 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 4,4-dimethylpentanoate (CID 121459562) is 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 4,4-dimethylpentanoate.
What is the SMILES notation for 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 4,4-dimethylpentanoate?
The canonical SMILES for 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 4,4-dimethylpentanoate is CCC(OC(=O)CCC(C)(C)C)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 4,4-dimethylpentanoate?
The InChIKey is WMWAUMPTSYUKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O4/c1-5-10(21-11(18)6-7-14(2,3)4)17-8-9(15)12(19)16-13(17)20/h8,10H,5-7H2,1-4H3,(H,16,19,20).
What are the key properties of 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 4,4-dimethylpentanoate?
1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 4,4-dimethylpentanoate has a molecular weight of 300.33 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 4,4-dimethylpentanoate is sourced from PubChem (CID 121459562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).