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

C11H8BrFN2O2 — CID 58122374

IUPAC5-bromo-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(Br)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C11H8BrFN2O2/c12-9-5-14-11(17)15(10(9)16)6-7-1-3-8(13)4-2-7/h1-5H,6H2,(H,14,17)
InChIKeyOIGATZNLNVLFSU-UHFFFAOYSA-N
MW299.10 g/mol
LogP1.49
Rot. Bonds2

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

5-bromo-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 58122374) has the molecular formula C11H8BrFN2O2 and a molecular weight of 299.10 g/mol. Its IUPAC name is 5-bromo-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID58122374
Molecular FormulaC11H8BrFN2O2
Molecular Weight299.10 g/mol
Exact Mass297.98
IUPAC Name5-bromo-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(Br)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C11H8BrFN2O2/c12-9-5-14-11(17)15(10(9)16)6-7-1-3-8(13)4-2-7/h1-5H,6H2,(H,14,17)
InChIKeyOIGATZNLNVLFSU-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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Related Compounds

5-bromo-3-[(5-fluoro-2-methylphenyl)methyl]-1H-pyrimidine-2,4-dione
CID 107104320
5-bromo-3-[(4-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 58122458
3-benzyl-5-fluoro-1H-pyrimidine-2,4-dione;silver
CID 88760860
5-amino-3-benzyl-1H-pyrimidine-2,4-dione
CID 15659209
5-bromo-3-(cyclopentylmethyl)-1H-pyrimidine-2,4-dione
CID 107104093
3-[(4-fluorophenyl)methyl]-7-methyl-1H-benzimidazol-2-one
CID 117206721
5-bromo-3-[2-(diethylamino)ethyl]-1H-pyrimidine-2,4-dione
CID 107104128
5-bromo-3-(3-methylsulfonylpropyl)-1H-pyrimidine-2,4-dione
CID 107104210
3-[(3-bromophenyl)methyl]-6-fluoro-1H-quinazoline-2,4-dione
CID 112707458
6-chloro-3-[(4-chlorophenyl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione
CID 113404444
4-bromo-6-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 175994685
1-[(4-fluorophenyl)methyl]-3-hydroxyquinazoline-2,4-dione
CID 52936428

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione (CID 58122374) is 5-bromo-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(Br)c(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of 5-bromo-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is OIGATZNLNVLFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O2/c12-9-5-14-11(17)15(10(9)16)6-7-1-3-8(13)4-2-7/h1-5H,6H2,(H,14,17).
What are the key properties of 5-bromo-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione?
5-bromo-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-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 5-bromo-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 58122374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).