N-(2-methoxyethyl)-2-(5-nitro-2,4-dioxopyrimidin-1-yl)acetamide

C9H12N4O6 — CID 63812427

IUPACN-(2-methoxyethyl)-2-(5-nitro-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCOCCNC(=O)Cn1cc([N+](=O)[O-])c(=O)[nH]c1=O
InChIInChI=1S/C9H12N4O6/c1-19-3-2-10-7(14)5-12-4-6(13(17)18)8(15)11-9(12)16/h4H,2-3,5H2,1H3,(H,10,14)(H,11,15,16)
InChIKeyUFAVMLJZRXNNDD-UHFFFAOYSA-N
MW272.22 g/mol
LogP-1.79
Rot. Bonds6

About N-(2-methoxyethyl)-2-(5-nitro-2,4-dioxopyrimidin-1-yl)acetamide

N-(2-methoxyethyl)-2-(5-nitro-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 63812427) has the molecular formula C9H12N4O6 and a molecular weight of 272.22 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(5-nitro-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(5-nitro-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID63812427
Molecular FormulaC9H12N4O6
Molecular Weight272.22 g/mol
Exact Mass272.08
IUPAC NameN-(2-methoxyethyl)-2-(5-nitro-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCOCCNC(=O)Cn1cc([N+](=O)[O-])c(=O)[nH]c1=O
InChIInChI=1S/C9H12N4O6/c1-19-3-2-10-7(14)5-12-4-6(13(17)18)8(15)11-9(12)16/h4H,2-3,5H2,1H3,(H,10,14)(H,11,15,16)
InChIKeyUFAVMLJZRXNNDD-UHFFFAOYSA-N
XLogP-1.79
TPSA136.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(5-nitro-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(5-nitro-2,4-dioxopyrimidin-1-yl)acetamide (CID 63812427) is N-(2-methoxyethyl)-2-(5-nitro-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(5-nitro-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(5-nitro-2,4-dioxopyrimidin-1-yl)acetamide is COCCNC(=O)Cn1cc([N+](=O)[O-])c(=O)[nH]c1=O.
What is the InChIKey of N-(2-methoxyethyl)-2-(5-nitro-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is UFAVMLJZRXNNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O6/c1-19-3-2-10-7(14)5-12-4-6(13(17)18)8(15)11-9(12)16/h4H,2-3,5H2,1H3,(H,10,14)(H,11,15,16).
What are the key properties of N-(2-methoxyethyl)-2-(5-nitro-2,4-dioxopyrimidin-1-yl)acetamide?
N-(2-methoxyethyl)-2-(5-nitro-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 272.22 g/mol, XLogP of -1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(5-nitro-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 63812427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).