5-methyl-1-(1,2,2-trichloroethenyl)pyrimidine-2,4-dione

C7H5Cl3N2O2 — CID 134894151

IUPAC5-methyl-1-(1,2,2-trichloroethenyl)pyrimidine-2,4-dione
SMILESCc1cn(C(Cl)=C(Cl)Cl)c(=O)[nH]c1=O
InChIInChI=1S/C7H5Cl3N2O2/c1-3-2-12(5(10)4(8)9)7(14)11-6(3)13/h2H,1H3,(H,11,13,14)
InChIKeyHLHAJSSRQBSMQY-UHFFFAOYSA-N
MW255.49 g/mol
LogP1.65
Rot. Bonds1

About 5-methyl-1-(1,2,2-trichloroethenyl)pyrimidine-2,4-dione

5-methyl-1-(1,2,2-trichloroethenyl)pyrimidine-2,4-dione (PubChem CID 134894151) has the molecular formula C7H5Cl3N2O2 and a molecular weight of 255.49 g/mol. Its IUPAC name is 5-methyl-1-(1,2,2-trichloroethenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-(1,2,2-trichloroethenyl)pyrimidine-2,4-dione
PubChem CID134894151
Molecular FormulaC7H5Cl3N2O2
Molecular Weight255.49 g/mol
Exact Mass253.94
IUPAC Name5-methyl-1-(1,2,2-trichloroethenyl)pyrimidine-2,4-dione
SMILESCc1cn(C(Cl)=C(Cl)Cl)c(=O)[nH]c1=O
InChIInChI=1S/C7H5Cl3N2O2/c1-3-2-12(5(10)4(8)9)7(14)11-6(3)13/h2H,1H3,(H,11,13,14)
InChIKeyHLHAJSSRQBSMQY-UHFFFAOYSA-N
XLogP1.65
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.49
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(1,2,2-trichloroethenyl)pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-(1,2,2-trichloroethenyl)pyrimidine-2,4-dione (CID 134894151) is 5-methyl-1-(1,2,2-trichloroethenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-(1,2,2-trichloroethenyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-(1,2,2-trichloroethenyl)pyrimidine-2,4-dione is Cc1cn(C(Cl)=C(Cl)Cl)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-(1,2,2-trichloroethenyl)pyrimidine-2,4-dione?
The InChIKey is HLHAJSSRQBSMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3N2O2/c1-3-2-12(5(10)4(8)9)7(14)11-6(3)13/h2H,1H3,(H,11,13,14).
What are the key properties of 5-methyl-1-(1,2,2-trichloroethenyl)pyrimidine-2,4-dione?
5-methyl-1-(1,2,2-trichloroethenyl)pyrimidine-2,4-dione has a molecular weight of 255.49 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(1,2,2-trichloroethenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 134894151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).