(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-(2-methoxyethyl)carbamate

C9H12FN3O5 — CID 118528157

IUPAC(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-(2-methoxyethyl)carbamate
SMILESCOCCNC(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H12FN3O5/c1-17-3-2-11-9(16)18-5-13-4-6(10)7(14)12-8(13)15/h4H,2-3,5H2,1H3,(H,11,16)(H,12,14,15)
InChIKeyNNVUYIIHWNGWRN-UHFFFAOYSA-N
MW261.21 g/mol
LogP-0.99
Rot. Bonds5

About (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-(2-methoxyethyl)carbamate

(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-(2-methoxyethyl)carbamate (PubChem CID 118528157) has the molecular formula C9H12FN3O5 and a molecular weight of 261.21 g/mol. Its IUPAC name is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-(2-methoxyethyl)carbamate
PubChem CID118528157
Molecular FormulaC9H12FN3O5
Molecular Weight261.21 g/mol
Exact Mass261.08
IUPAC Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-(2-methoxyethyl)carbamate
SMILESCOCCNC(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H12FN3O5/c1-17-3-2-11-9(16)18-5-13-4-6(10)7(14)12-8(13)15/h4H,2-3,5H2,1H3,(H,11,16)(H,12,14,15)
InChIKeyNNVUYIIHWNGWRN-UHFFFAOYSA-N
XLogP-0.99
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-dioxopyrimidin-1-yl)methyl N-(2-methoxyethyl)carbamate?
The IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-(2-methoxyethyl)carbamate (CID 118528157) is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-(2-methoxyethyl)carbamate.
What is the SMILES notation for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-(2-methoxyethyl)carbamate?
The canonical SMILES for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-(2-methoxyethyl)carbamate is COCCNC(=O)OCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-(2-methoxyethyl)carbamate?
The InChIKey is NNVUYIIHWNGWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O5/c1-17-3-2-11-9(16)18-5-13-4-6(10)7(14)12-8(13)15/h4H,2-3,5H2,1H3,(H,11,16)(H,12,14,15).
What are the key properties of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-(2-methoxyethyl)carbamate?
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-(2-methoxyethyl)carbamate has a molecular weight of 261.21 g/mol, XLogP of -0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 118528157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).