1-(2-ethoxyethyl)-6-(trichloromethyl)pyrimidine-2,4-dione

C9H11Cl3N2O3 — CID 71202000

IUPAC1-(2-ethoxyethyl)-6-(trichloromethyl)pyrimidine-2,4-dione
SMILESCCOCCn1c(C(Cl)(Cl)Cl)cc(=O)[nH]c1=O
InChIInChI=1S/C9H11Cl3N2O3/c1-2-17-4-3-14-6(9(10,11)12)5-7(15)13-8(14)16/h5H,2-4H2,1H3,(H,13,15,16)
InChIKeyVQTZUYKSLCOMJY-UHFFFAOYSA-N
MW301.56 g/mol
LogP1.40
Rot. Bonds4

About 1-(2-ethoxyethyl)-6-(trichloromethyl)pyrimidine-2,4-dione

1-(2-ethoxyethyl)-6-(trichloromethyl)pyrimidine-2,4-dione (PubChem CID 71202000) has the molecular formula C9H11Cl3N2O3 and a molecular weight of 301.56 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-6-(trichloromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-6-(trichloromethyl)pyrimidine-2,4-dione
PubChem CID71202000
Molecular FormulaC9H11Cl3N2O3
Molecular Weight301.56 g/mol
Exact Mass299.98
IUPAC Name1-(2-ethoxyethyl)-6-(trichloromethyl)pyrimidine-2,4-dione
SMILESCCOCCn1c(C(Cl)(Cl)Cl)cc(=O)[nH]c1=O
InChIInChI=1S/C9H11Cl3N2O3/c1-2-17-4-3-14-6(9(10,11)12)5-7(15)13-8(14)16/h5H,2-4H2,1H3,(H,13,15,16)
InChIKeyVQTZUYKSLCOMJY-UHFFFAOYSA-N
XLogP1.40
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.56
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-tert-butyl-1-propylpyrimidine-2,4-dione
CID 121206645
1-(2-ethoxyethyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 43591138
6-hydroxy-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
CID 34175357
6-amino-1-(3-propoxypropyl)pyrimidine-2,4-dione
CID 82943721
4-tert-butyl-3-(2-ethoxyethyl)-1H-imidazole-2-thione
CID 81335761
1-(2-ethoxyethyl)-N,N-dimethyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 70707341
1-(2-ethoxyethyl)-3-(3-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione
CID 165160455
1-(2-ethoxyethyl)-5-ethylpyrimidine-2,4-dione
CID 66330926
1-(2-ethoxyethyl)-N-ethyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 70775195
1-(2-ethoxyethyl)-N,N-diethyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 70752092
4-tert-butyl-2-(2-ethoxyethyl)-1H-pyrimidin-6-one
CID 136745752
2-(6-tert-butyl-2,4-dioxopyrimidin-1-yl)acetonitrile
CID 121206665

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-6-(trichloromethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(2-ethoxyethyl)-6-(trichloromethyl)pyrimidine-2,4-dione (CID 71202000) is 1-(2-ethoxyethyl)-6-(trichloromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-ethoxyethyl)-6-(trichloromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(2-ethoxyethyl)-6-(trichloromethyl)pyrimidine-2,4-dione is CCOCCn1c(C(Cl)(Cl)Cl)cc(=O)[nH]c1=O.
What is the InChIKey of 1-(2-ethoxyethyl)-6-(trichloromethyl)pyrimidine-2,4-dione?
The InChIKey is VQTZUYKSLCOMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl3N2O3/c1-2-17-4-3-14-6(9(10,11)12)5-7(15)13-8(14)16/h5H,2-4H2,1H3,(H,13,15,16).
What are the key properties of 1-(2-ethoxyethyl)-6-(trichloromethyl)pyrimidine-2,4-dione?
1-(2-ethoxyethyl)-6-(trichloromethyl)pyrimidine-2,4-dione has a molecular weight of 301.56 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-6-(trichloromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 71202000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).