1-(ethoxymethyl)-5-(trichloromethyl)pyrimidine-2,4-dione

C8H9Cl3N2O3 — CID 59741827

IUPAC1-(ethoxymethyl)-5-(trichloromethyl)pyrimidine-2,4-dione
SMILESCCOCn1cc(C(Cl)(Cl)Cl)c(=O)[nH]c1=O
InChIInChI=1S/C8H9Cl3N2O3/c1-2-16-4-13-3-5(8(9,10)11)6(14)12-7(13)15/h3H,2,4H2,1H3,(H,12,14,15)
InChIKeyYZCAFQNYYPRYFG-UHFFFAOYSA-N
MW287.53 g/mol
LogP1.36
Rot. Bonds3

About 1-(ethoxymethyl)-5-(trichloromethyl)pyrimidine-2,4-dione

1-(ethoxymethyl)-5-(trichloromethyl)pyrimidine-2,4-dione (PubChem CID 59741827) has the molecular formula C8H9Cl3N2O3 and a molecular weight of 287.53 g/mol. Its IUPAC name is 1-(ethoxymethyl)-5-(trichloromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(ethoxymethyl)-5-(trichloromethyl)pyrimidine-2,4-dione
PubChem CID59741827
Molecular FormulaC8H9Cl3N2O3
Molecular Weight287.53 g/mol
Exact Mass285.97
IUPAC Name1-(ethoxymethyl)-5-(trichloromethyl)pyrimidine-2,4-dione
SMILESCCOCn1cc(C(Cl)(Cl)Cl)c(=O)[nH]c1=O
InChIInChI=1S/C8H9Cl3N2O3/c1-2-16-4-13-3-5(8(9,10)11)6(14)12-7(13)15/h3H,2,4H2,1H3,(H,12,14,15)
InChIKeyYZCAFQNYYPRYFG-UHFFFAOYSA-N
XLogP1.36
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.53
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-5-(trichloromethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(ethoxymethyl)-5-(trichloromethyl)pyrimidine-2,4-dione (CID 59741827) is 1-(ethoxymethyl)-5-(trichloromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(ethoxymethyl)-5-(trichloromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(ethoxymethyl)-5-(trichloromethyl)pyrimidine-2,4-dione is CCOCn1cc(C(Cl)(Cl)Cl)c(=O)[nH]c1=O.
What is the InChIKey of 1-(ethoxymethyl)-5-(trichloromethyl)pyrimidine-2,4-dione?
The InChIKey is YZCAFQNYYPRYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl3N2O3/c1-2-16-4-13-3-5(8(9,10)11)6(14)12-7(13)15/h3H,2,4H2,1H3,(H,12,14,15).
What are the key properties of 1-(ethoxymethyl)-5-(trichloromethyl)pyrimidine-2,4-dione?
1-(ethoxymethyl)-5-(trichloromethyl)pyrimidine-2,4-dione has a molecular weight of 287.53 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-5-(trichloromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 59741827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).