N-(2-amino-2-oxoethoxy)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C9H12N4O5 — CID 112550431

IUPACN-(2-amino-2-oxoethoxy)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCn1c(=O)ccn(CC(=O)NOCC(N)=O)c1=O
InChIInChI=1S/C9H12N4O5/c1-12-8(16)2-3-13(9(12)17)4-7(15)11-18-5-6(10)14/h2-3H,4-5H2,1H3,(H2,10,14)(H,11,15)
InChIKeyWQYXRXVGTQTDDQ-UHFFFAOYSA-N
MW256.22 g/mol
LogP-2.92
Rot. Bonds5

About N-(2-amino-2-oxoethoxy)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-(2-amino-2-oxoethoxy)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 112550431) has the molecular formula C9H12N4O5 and a molecular weight of 256.22 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID112550431
Molecular FormulaC9H12N4O5
Molecular Weight256.22 g/mol
Exact Mass256.08
IUPAC NameN-(2-amino-2-oxoethoxy)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCn1c(=O)ccn(CC(=O)NOCC(N)=O)c1=O
InChIInChI=1S/C9H12N4O5/c1-12-8(16)2-3-13(9(12)17)4-7(15)11-18-5-6(10)14/h2-3H,4-5H2,1H3,(H2,10,14)(H,11,15)
InChIKeyWQYXRXVGTQTDDQ-UHFFFAOYSA-N
XLogP-2.92
TPSA125.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 5-2.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 112550431) is N-(2-amino-2-oxoethoxy)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide is Cn1c(=O)ccn(CC(=O)NOCC(N)=O)c1=O.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is WQYXRXVGTQTDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O5/c1-12-8(16)2-3-13(9(12)17)4-7(15)11-18-5-6(10)14/h2-3H,4-5H2,1H3,(H2,10,14)(H,11,15).
What are the key properties of N-(2-amino-2-oxoethoxy)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-(2-amino-2-oxoethoxy)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 256.22 g/mol, XLogP of -2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 112550431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).