1-[(5-bromo-2-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione

C13H12BrFN2O2 — CID 66329734

IUPAC1-[(5-bromo-2-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione
SMILESCCc1cn(Cc2cc(Br)ccc2F)c(=O)[nH]c1=O
InChIInChI=1S/C13H12BrFN2O2/c1-2-8-6-17(13(19)16-12(8)18)7-9-5-10(14)3-4-11(9)15/h3-6H,2,7H2,1H3,(H,16,18,19)
InChIKeyMNBXUEPDRYXBKR-UHFFFAOYSA-N
MW327.15 g/mol
LogP2.05
Rot. Bonds3

About 1-[(5-bromo-2-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione

1-[(5-bromo-2-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione (PubChem CID 66329734) has the molecular formula C13H12BrFN2O2 and a molecular weight of 327.15 g/mol. Its IUPAC name is 1-[(5-bromo-2-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(5-bromo-2-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione
PubChem CID66329734
Molecular FormulaC13H12BrFN2O2
Molecular Weight327.15 g/mol
Exact Mass326.01
IUPAC Name1-[(5-bromo-2-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione
SMILESCCc1cn(Cc2cc(Br)ccc2F)c(=O)[nH]c1=O
InChIInChI=1S/C13H12BrFN2O2/c1-2-8-6-17(13(19)16-12(8)18)7-9-5-10(14)3-4-11(9)15/h3-6H,2,7H2,1H3,(H,16,18,19)
InChIKeyMNBXUEPDRYXBKR-UHFFFAOYSA-N
XLogP2.05
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.15
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromo-2-fluorophenyl)methyl]-5-nitropyrimidine-2,4-dione
CID 63810493
1-[(3-bromophenyl)methyl]-5-ethylpyrimidine-2,4-dione
CID 66328937
1-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,4-dione
CID 63812366
1-[(4-amino-2-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione
CID 66329706
5-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
CID 66330527
1-[(2-amino-5-chlorophenyl)methyl]-5-ethylpyrimidine-2,4-dione
CID 79582345
1-[(2-chloro-5-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione
CID 102620271
5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one
CID 47214230
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
4-[(5-bromo-2-fluorophenyl)methyl]-1H-1,2,4-triazol-5-one
CID 107410570
5-ethyl-1-[(4-ethylphenyl)methyl]pyrimidine-2,4-dione
CID 66330934
1-[(5-bromo-2-methoxyphenyl)methyl]-5-iodopyrimidine-2,4-dione
CID 79784796

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione?
The IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione (CID 66329734) is 1-[(5-bromo-2-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(5-bromo-2-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(5-bromo-2-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione is CCc1cn(Cc2cc(Br)ccc2F)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(5-bromo-2-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione?
The InChIKey is MNBXUEPDRYXBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O2/c1-2-8-6-17(13(19)16-12(8)18)7-9-5-10(14)3-4-11(9)15/h3-6H,2,7H2,1H3,(H,16,18,19).
What are the key properties of 1-[(5-bromo-2-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione?
1-[(5-bromo-2-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione has a molecular weight of 327.15 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 66329734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).