N-(2-ethoxyethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide

C9H12FN3O4 — CID 20525034

IUPACN-(2-ethoxyethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESCCOCCNC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H12FN3O4/c1-2-17-4-3-11-8(15)13-5-6(10)7(14)12-9(13)16/h5H,2-4H2,1H3,(H,11,15)(H,12,14,16)
InChIKeyHHXWZBJQZIBYIB-UHFFFAOYSA-N
MW245.21 g/mol
LogP-0.73
Rot. Bonds4

About N-(2-ethoxyethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide

N-(2-ethoxyethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 20525034) has the molecular formula C9H12FN3O4 and a molecular weight of 245.21 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
PubChem CID20525034
Molecular FormulaC9H12FN3O4
Molecular Weight245.21 g/mol
Exact Mass245.08
IUPAC NameN-(2-ethoxyethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESCCOCCNC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H12FN3O4/c1-2-17-4-3-11-8(15)13-5-6(10)7(14)12-9(13)16/h5H,2-4H2,1H3,(H,11,15)(H,12,14,16)
InChIKeyHHXWZBJQZIBYIB-UHFFFAOYSA-N
XLogP-0.73
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-(2-ethoxyethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (CID 20525034) is N-(2-ethoxyethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is CCOCCNC(=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of N-(2-ethoxyethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is HHXWZBJQZIBYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O4/c1-2-17-4-3-11-8(15)13-5-6(10)7(14)12-9(13)16/h5H,2-4H2,1H3,(H,11,15)(H,12,14,16).
What are the key properties of N-(2-ethoxyethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
N-(2-ethoxyethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 245.21 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 20525034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).