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

C10H13FN2O6 — CID 10221221

IUPAC(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl 2-(2-methoxyethoxy)acetate
SMILESCOCCOCC(=O)OCn1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C10H13FN2O6/c1-17-2-3-18-5-8(14)19-6-13-9(15)7(11)4-12-10(13)16/h4H,2-3,5-6H2,1H3,(H,12,16)
InChIKeyLSWNWMOHPPMYNI-UHFFFAOYSA-N
MW276.22 g/mol
LogP-1.16
Rot. Bonds7

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

(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl 2-(2-methoxyethoxy)acetate (PubChem CID 10221221) has the molecular formula C10H13FN2O6 and a molecular weight of 276.22 g/mol. Its IUPAC name is (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl 2-(2-methoxyethoxy)acetate.

Molecular Properties

Compound Name(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl 2-(2-methoxyethoxy)acetate
PubChem CID10221221
Molecular FormulaC10H13FN2O6
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC Name(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl 2-(2-methoxyethoxy)acetate
SMILESCOCCOCC(=O)OCn1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C10H13FN2O6/c1-17-2-3-18-5-8(14)19-6-13-9(15)7(11)4-12-10(13)16/h4H,2-3,5-6H2,1H3,(H,12,16)
InChIKeyLSWNWMOHPPMYNI-UHFFFAOYSA-N
XLogP-1.16
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-methoxyethoxy)acetate?
The IUPAC name of (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl 2-(2-methoxyethoxy)acetate (CID 10221221) is (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl 2-(2-methoxyethoxy)acetate.
What is the SMILES notation for (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl 2-(2-methoxyethoxy)acetate?
The canonical SMILES for (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl 2-(2-methoxyethoxy)acetate is COCCOCC(=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-methoxyethoxy)acetate?
The InChIKey is LSWNWMOHPPMYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O6/c1-17-2-3-18-5-8(14)19-6-13-9(15)7(11)4-12-10(13)16/h4H,2-3,5-6H2,1H3,(H,12,16).
What are the key properties of (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl 2-(2-methoxyethoxy)acetate?
(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl 2-(2-methoxyethoxy)acetate has a molecular weight of 276.22 g/mol, XLogP of -1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl 2-(2-methoxyethoxy)acetate is sourced from PubChem (CID 10221221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).