[2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl]-trimethylazanium

C9H14N3O3+ — CID 90677960

IUPAC[2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl]-trimethylazanium
SMILESC[N+](C)(C)CC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H13N3O3/c1-12(2,3)5-7(13)6-4-10-9(15)11-8(6)14/h4H,5H2,1-3H3,(H-,10,11,13,14,15)/p+1
InChIKeyLDHVHIWNKSYIDB-UHFFFAOYSA-O
MW212.23 g/mol
LogP-1.05
Rot. Bonds3

About [2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl]-trimethylazanium

[2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl]-trimethylazanium (PubChem CID 90677960) has the molecular formula C9H14N3O3+ and a molecular weight of 212.23 g/mol. Its IUPAC name is [2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl]-trimethylazanium.

Molecular Properties

Compound Name[2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl]-trimethylazanium
PubChem CID90677960
Molecular FormulaC9H14N3O3+
Molecular Weight212.23 g/mol
Exact Mass212.10
IUPAC Name[2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl]-trimethylazanium
SMILESC[N+](C)(C)CC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H13N3O3/c1-12(2,3)5-7(13)6-4-10-9(15)11-8(6)14/h4H,5H2,1-3H3,(H-,10,11,13,14,15)/p+1
InChIKeyLDHVHIWNKSYIDB-UHFFFAOYSA-O
XLogP-1.05
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl]-trimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl]-trimethylazanium?
The IUPAC name of [2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl]-trimethylazanium (CID 90677960) is [2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl]-trimethylazanium.
What is the SMILES notation for [2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl]-trimethylazanium?
The canonical SMILES for [2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl]-trimethylazanium is C[N+](C)(C)CC(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of [2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl]-trimethylazanium?
The InChIKey is LDHVHIWNKSYIDB-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H13N3O3/c1-12(2,3)5-7(13)6-4-10-9(15)11-8(6)14/h4H,5H2,1-3H3,(H-,10,11,13,14,15)/p+1.
What are the key properties of [2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl]-trimethylazanium?
[2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl]-trimethylazanium has a molecular weight of 212.23 g/mol, XLogP of -1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl]-trimethylazanium is sourced from PubChem (CID 90677960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).