(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate

C12H17FN2O7 — CID 20742944

IUPAC(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
SMILESCOCCOCCOCC(=O)OCn1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C12H17FN2O7/c1-19-2-3-20-4-5-21-7-10(16)22-8-15-11(17)9(13)6-14-12(15)18/h6H,2-5,7-8H2,1H3,(H,14,18)
InChIKeyJXCWRTFDZUMXQB-UHFFFAOYSA-N
MW320.27 g/mol
LogP-1.14
Rot. Bonds10

About (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate

(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate (PubChem CID 20742944) has the molecular formula C12H17FN2O7 and a molecular weight of 320.27 g/mol. Its IUPAC name is (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate.

Molecular Properties

Compound Name(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
PubChem CID20742944
Molecular FormulaC12H17FN2O7
Molecular Weight320.27 g/mol
Exact Mass320.10
IUPAC Name(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
SMILESCOCCOCCOCC(=O)OCn1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C12H17FN2O7/c1-19-2-3-20-4-5-21-7-10(16)22-8-15-11(17)9(13)6-14-12(15)18/h6H,2-5,7-8H2,1H3,(H,14,18)
InChIKeyJXCWRTFDZUMXQB-UHFFFAOYSA-N
XLogP-1.14
TPSA108.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate?
The IUPAC name of (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate (CID 20742944) is (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate.
What is the SMILES notation for (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate?
The canonical SMILES for (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate is COCCOCCOCC(=O)OCn1c(=O)[nH]cc(F)c1=O.
What is the InChIKey of (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate?
The InChIKey is JXCWRTFDZUMXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O7/c1-19-2-3-20-4-5-21-7-10(16)22-8-15-11(17)9(13)6-14-12(15)18/h6H,2-5,7-8H2,1H3,(H,14,18).
What are the key properties of (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate?
(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate has a molecular weight of 320.27 g/mol, XLogP of -1.14, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate is sourced from PubChem (CID 20742944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).