1-[4-bromo-2-(trifluoromethyl)phenyl]-6-hydroxy-5-methylpyrimidine-2,4-dione

C12H8BrF3N2O3 — CID 115946946

IUPAC1-[4-bromo-2-(trifluoromethyl)phenyl]-6-hydroxy-5-methylpyrimidine-2,4-dione
SMILESCc1c(O)n(-c2ccc(Br)cc2C(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C12H8BrF3N2O3/c1-5-9(19)17-11(21)18(10(5)20)8-3-2-6(13)4-7(8)12(14,15)16/h2-4,20H,1H3,(H,17,19,21)
InChIKeyPWGJEMFZUPCHAC-UHFFFAOYSA-N
MW365.11 g/mol
LogP2.32
Rot. Bonds1

About 1-[4-bromo-2-(trifluoromethyl)phenyl]-6-hydroxy-5-methylpyrimidine-2,4-dione

1-[4-bromo-2-(trifluoromethyl)phenyl]-6-hydroxy-5-methylpyrimidine-2,4-dione (PubChem CID 115946946) has the molecular formula C12H8BrF3N2O3 and a molecular weight of 365.11 g/mol. Its IUPAC name is 1-[4-bromo-2-(trifluoromethyl)phenyl]-6-hydroxy-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[4-bromo-2-(trifluoromethyl)phenyl]-6-hydroxy-5-methylpyrimidine-2,4-dione
PubChem CID115946946
Molecular FormulaC12H8BrF3N2O3
Molecular Weight365.11 g/mol
Exact Mass363.97
IUPAC Name1-[4-bromo-2-(trifluoromethyl)phenyl]-6-hydroxy-5-methylpyrimidine-2,4-dione
SMILESCc1c(O)n(-c2ccc(Br)cc2C(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C12H8BrF3N2O3/c1-5-9(19)17-11(21)18(10(5)20)8-3-2-6(13)4-7(8)12(14,15)16/h2-4,20H,1H3,(H,17,19,21)
InChIKeyPWGJEMFZUPCHAC-UHFFFAOYSA-N
XLogP2.32
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.11
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-2-chlorophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112600514
1-(2-bromophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598193
1-(2-chloro-4-fluorophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598213
1-(2,4-dibromophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112599815
1-(5-fluoro-2-methylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598629
6-hydroxy-5-methyl-1-(2,3,5-trifluorophenyl)pyrimidine-2,4-dione
CID 112600489
1-(4-bromo-2-fluorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598971
1-(2-fluoro-4-nitrophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 115947678
1-[4-bromo-2-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 60790484
6-hydroxy-1-(3-iodo-2-methylphenyl)-5-methylpyrimidine-2,4-dione
CID 114258109
4-[4-bromo-2-(trifluoromethyl)phenyl]-3-chloro-5-methyl-1,2,4-triazole
CID 63385282
2-[4-bromo-2-(trifluoromethyl)phenyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66284770

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]-6-hydroxy-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]-6-hydroxy-5-methylpyrimidine-2,4-dione (CID 115946946) is 1-[4-bromo-2-(trifluoromethyl)phenyl]-6-hydroxy-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[4-bromo-2-(trifluoromethyl)phenyl]-6-hydroxy-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[4-bromo-2-(trifluoromethyl)phenyl]-6-hydroxy-5-methylpyrimidine-2,4-dione is Cc1c(O)n(-c2ccc(Br)cc2C(F)(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 1-[4-bromo-2-(trifluoromethyl)phenyl]-6-hydroxy-5-methylpyrimidine-2,4-dione?
The InChIKey is PWGJEMFZUPCHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF3N2O3/c1-5-9(19)17-11(21)18(10(5)20)8-3-2-6(13)4-7(8)12(14,15)16/h2-4,20H,1H3,(H,17,19,21).
What are the key properties of 1-[4-bromo-2-(trifluoromethyl)phenyl]-6-hydroxy-5-methylpyrimidine-2,4-dione?
1-[4-bromo-2-(trifluoromethyl)phenyl]-6-hydroxy-5-methylpyrimidine-2,4-dione has a molecular weight of 365.11 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(trifluoromethyl)phenyl]-6-hydroxy-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 115946946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).