1-(2-bromophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione

C11H9BrN2O3 — CID 112598193

IUPAC1-(2-bromophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
SMILESCc1c(O)n(-c2ccccc2Br)c(=O)[nH]c1=O
InChIInChI=1S/C11H9BrN2O3/c1-6-9(15)13-11(17)14(10(6)16)8-5-3-2-4-7(8)12/h2-5,16H,1H3,(H,13,15,17)
InChIKeyRZGCOHBOWLINDV-UHFFFAOYSA-N
MW297.11 g/mol
LogP1.30
Rot. Bonds1

About 1-(2-bromophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione

1-(2-bromophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione (PubChem CID 112598193) has the molecular formula C11H9BrN2O3 and a molecular weight of 297.11 g/mol. Its IUPAC name is 1-(2-bromophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-bromophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
PubChem CID112598193
Molecular FormulaC11H9BrN2O3
Molecular Weight297.11 g/mol
Exact Mass295.98
IUPAC Name1-(2-bromophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
SMILESCc1c(O)n(-c2ccccc2Br)c(=O)[nH]c1=O
InChIInChI=1S/C11H9BrN2O3/c1-6-9(15)13-11(17)14(10(6)16)8-5-3-2-4-7(8)12/h2-5,16H,1H3,(H,13,15,17)
InChIKeyRZGCOHBOWLINDV-UHFFFAOYSA-N
XLogP1.30
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.11
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598309
6-hydroxy-5-methyl-1-(2-propan-2-ylphenyl)pyrimidine-2,4-dione
CID 112598911
6-hydroxy-1-(3-iodo-2-methylphenyl)-5-methylpyrimidine-2,4-dione
CID 114258109
1-(5-bromo-2-chlorophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112600514
1-(2-bromophenyl)-6-methylpyrimidine-2,4-dione
CID 27211061
6-hydroxy-5-methyl-1-naphthalen-2-ylpyrimidine-2,4-dione
CID 115947092
1-[4-bromo-2-(trifluoromethyl)phenyl]-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 115946946
3-(2-bromophenyl)-6-methyl-1H-benzimidazol-2-one
CID 117207608
1-(5-fluoro-2-methylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598629
1-(2-chloro-4-fluorophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598213
6-hydroxy-5-methyl-1-(2,3,5-trifluorophenyl)pyrimidine-2,4-dione
CID 112600489
1-(2,3-dimethylphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598553

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(2-bromophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione (CID 112598193) is 1-(2-bromophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-bromophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(2-bromophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione is Cc1c(O)n(-c2ccccc2Br)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2-bromophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
The InChIKey is RZGCOHBOWLINDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O3/c1-6-9(15)13-11(17)14(10(6)16)8-5-3-2-4-7(8)12/h2-5,16H,1H3,(H,13,15,17).
What are the key properties of 1-(2-bromophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
1-(2-bromophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione has a molecular weight of 297.11 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 112598193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).