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

C11H8BrFN2O2 — CID 3069740

IUPAC1-[(4-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(Br)cc2)cc1F
InChIInChI=1S/C11H8BrFN2O2/c12-8-3-1-7(2-4-8)5-15-6-9(13)10(16)14-11(15)17/h1-4,6H,5H2,(H,14,16,17)
InChIKeyLZBNOKKOEUKELJ-UHFFFAOYSA-N
MW299.10 g/mol
LogP1.49
Rot. Bonds2

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

1-[(4-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 3069740) has the molecular formula C11H8BrFN2O2 and a molecular weight of 299.10 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione
PubChem CID3069740
Molecular FormulaC11H8BrFN2O2
Molecular Weight299.10 g/mol
Exact Mass297.98
IUPAC Name1-[(4-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(Br)cc2)cc1F
InChIInChI=1S/C11H8BrFN2O2/c12-8-3-1-7(2-4-8)5-15-6-9(13)10(16)14-11(15)17/h1-4,6H,5H2,(H,14,16,17)
InChIKeyLZBNOKKOEUKELJ-UHFFFAOYSA-N
XLogP1.49
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.10
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[(4-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione (CID 3069740) is 1-[(4-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2ccc(Br)cc2)cc1F.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is LZBNOKKOEUKELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O2/c12-8-3-1-7(2-4-8)5-15-6-9(13)10(16)14-11(15)17/h1-4,6H,5H2,(H,14,16,17).
What are the key properties of 1-[(4-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione?
1-[(4-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 299.10 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 3069740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).