1-[(2,6-dichlorophenyl)methyl]-5-fluoropyrimidine-2,4-dione

C11H7Cl2FN2O2 — CID 682328

IUPAC1-[(2,6-dichlorophenyl)methyl]-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2c(Cl)cccc2Cl)cc1F
InChIInChI=1S/C11H7Cl2FN2O2/c12-7-2-1-3-8(13)6(7)4-16-5-9(14)10(17)15-11(16)18/h1-3,5H,4H2,(H,15,17,18)
InChIKeyHCLAQGSQXWDQMD-UHFFFAOYSA-N
MW289.09 g/mol
LogP2.03
Rot. Bonds2

About 1-[(2,6-dichlorophenyl)methyl]-5-fluoropyrimidine-2,4-dione

1-[(2,6-dichlorophenyl)methyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 682328) has the molecular formula C11H7Cl2FN2O2 and a molecular weight of 289.09 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-5-fluoropyrimidine-2,4-dione
PubChem CID682328
Molecular FormulaC11H7Cl2FN2O2
Molecular Weight289.09 g/mol
Exact Mass287.99
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2c(Cl)cccc2Cl)cc1F
InChIInChI=1S/C11H7Cl2FN2O2/c12-7-2-1-3-8(13)6(7)4-16-5-9(14)10(17)15-11(16)18/h1-3,5H,4H2,(H,15,17,18)
InChIKeyHCLAQGSQXWDQMD-UHFFFAOYSA-N
XLogP2.03
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.09
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2,6-dichlorophenyl)methyl]-5-fluoropyrimidine-2,4-dione 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 1-[(2,6-dichlorophenyl)methyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-5-fluoropyrimidine-2,4-dione (CID 682328) is 1-[(2,6-dichlorophenyl)methyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-5-fluoropyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2c(Cl)cccc2Cl)cc1F.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is HCLAQGSQXWDQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2O2/c12-7-2-1-3-8(13)6(7)4-16-5-9(14)10(17)15-11(16)18/h1-3,5H,4H2,(H,15,17,18).
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-5-fluoropyrimidine-2,4-dione?
1-[(2,6-dichlorophenyl)methyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 289.09 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 682328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).