5-bromo-3-[(5-fluoro-2-methylphenyl)methyl]-1H-pyrimidine-2,4-dione

C12H10BrFN2O2 — CID 107104320

IUPAC5-bromo-3-[(5-fluoro-2-methylphenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESCc1ccc(F)cc1Cn1c(=O)[nH]cc(Br)c1=O
InChIInChI=1S/C12H10BrFN2O2/c1-7-2-3-9(14)4-8(7)6-16-11(17)10(13)5-15-12(16)18/h2-5H,6H2,1H3,(H,15,18)
InChIKeyDXVCFVBMFAGTRK-UHFFFAOYSA-N
MW313.13 g/mol
LogP1.79
Rot. Bonds2

About 5-bromo-3-[(5-fluoro-2-methylphenyl)methyl]-1H-pyrimidine-2,4-dione

5-bromo-3-[(5-fluoro-2-methylphenyl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 107104320) has the molecular formula C12H10BrFN2O2 and a molecular weight of 313.13 g/mol. Its IUPAC name is 5-bromo-3-[(5-fluoro-2-methylphenyl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-3-[(5-fluoro-2-methylphenyl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID107104320
Molecular FormulaC12H10BrFN2O2
Molecular Weight313.13 g/mol
Exact Mass311.99
IUPAC Name5-bromo-3-[(5-fluoro-2-methylphenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESCc1ccc(F)cc1Cn1c(=O)[nH]cc(Br)c1=O
InChIInChI=1S/C12H10BrFN2O2/c1-7-2-3-9(14)4-8(7)6-16-11(17)10(13)5-15-12(16)18/h2-5H,6H2,1H3,(H,15,18)
InChIKeyDXVCFVBMFAGTRK-UHFFFAOYSA-N
XLogP1.79
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.13
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
CID 58122374
3-[(5-fluoro-2-methylphenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 105375307
1-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]imidazol-2-one
CID 105375362
1-[(5-fluoro-2-methylphenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide
CID 105376392
3-[(5-fluoro-2-methylphenyl)methyl]-5-iodo-1-propylpyrimidine-2,4-dione
CID 105376220
1-[(5-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione
CID 105375774
5,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 105375384
3-[(2-amino-4-fluorophenyl)methyl]-5-bromo-2-methylpyrimidin-4-one
CID 66308999
1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 22975139
1-(2-bromo-5-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376889
1-[(5-fluoro-2-methylphenyl)methyl]-3-methyl-5-nitropyridin-2-one
CID 99825240
1-[(5-fluoro-2-methylphenyl)methyl]-3-propylimidazol-2-one
CID 105375364

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(5-fluoro-2-methylphenyl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-3-[(5-fluoro-2-methylphenyl)methyl]-1H-pyrimidine-2,4-dione (CID 107104320) is 5-bromo-3-[(5-fluoro-2-methylphenyl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-3-[(5-fluoro-2-methylphenyl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-3-[(5-fluoro-2-methylphenyl)methyl]-1H-pyrimidine-2,4-dione is Cc1ccc(F)cc1Cn1c(=O)[nH]cc(Br)c1=O.
What is the InChIKey of 5-bromo-3-[(5-fluoro-2-methylphenyl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is DXVCFVBMFAGTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2/c1-7-2-3-9(14)4-8(7)6-16-11(17)10(13)5-15-12(16)18/h2-5H,6H2,1H3,(H,15,18).
What are the key properties of 5-bromo-3-[(5-fluoro-2-methylphenyl)methyl]-1H-pyrimidine-2,4-dione?
5-bromo-3-[(5-fluoro-2-methylphenyl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 313.13 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(5-fluoro-2-methylphenyl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 107104320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).