1-[(2-bromo-5-methoxyphenyl)methyl]pyrimidine-2,4-dione

C12H11BrN2O3 — CID 65327229

IUPAC1-[(2-bromo-5-methoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCOc1ccc(Br)c(Cn2ccc(=O)[nH]c2=O)c1
InChIInChI=1S/C12H11BrN2O3/c1-18-9-2-3-10(13)8(6-9)7-15-5-4-11(16)14-12(15)17/h2-6H,7H2,1H3,(H,14,16,17)
InChIKeyJIPKOLQTNZZNIZ-UHFFFAOYSA-N
MW311.14 g/mol
LogP1.36
Rot. Bonds3

About 1-[(2-bromo-5-methoxyphenyl)methyl]pyrimidine-2,4-dione

1-[(2-bromo-5-methoxyphenyl)methyl]pyrimidine-2,4-dione (PubChem CID 65327229) has the molecular formula C12H11BrN2O3 and a molecular weight of 311.14 g/mol. Its IUPAC name is 1-[(2-bromo-5-methoxyphenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-bromo-5-methoxyphenyl)methyl]pyrimidine-2,4-dione
PubChem CID65327229
Molecular FormulaC12H11BrN2O3
Molecular Weight311.14 g/mol
Exact Mass310.00
IUPAC Name1-[(2-bromo-5-methoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCOc1ccc(Br)c(Cn2ccc(=O)[nH]c2=O)c1
InChIInChI=1S/C12H11BrN2O3/c1-18-9-2-3-10(13)8(6-9)7-15-5-4-11(16)14-12(15)17/h2-6H,7H2,1H3,(H,14,16,17)
InChIKeyJIPKOLQTNZZNIZ-UHFFFAOYSA-N
XLogP1.36
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-bromo-5-methoxyphenyl)methyl]-3-propylimidazol-2-one
CID 80582220
1-[(2-bromo-5-methoxyphenyl)methyl]-5-methylindole
CID 116622881
4-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]indole
CID 116625976
2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine
CID 66406254
1-[(2-bromo-5-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79180750
1-[(2-bromo-5-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 65326183
1-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,4-dione
CID 63812366
5-amino-3-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]-4-methylpyridin-2-one
CID 104505773
1-[(2-bromo-5-methoxyphenyl)methyl]-4,6-dichloroindole
CID 103428250
1-[(2-bromo-5-methoxyphenyl)methyl]-4-fluoroindole
CID 82792935
N-[(2,5-dimethoxyphenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 33103569
1-[(2-bromo-5-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-2-one
CID 65325926

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methyl]pyrimidine-2,4-dione (CID 65327229) is 1-[(2-bromo-5-methoxyphenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2-bromo-5-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2-bromo-5-methoxyphenyl)methyl]pyrimidine-2,4-dione is COc1ccc(Br)c(Cn2ccc(=O)[nH]c2=O)c1.
What is the InChIKey of 1-[(2-bromo-5-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is JIPKOLQTNZZNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3/c1-18-9-2-3-10(13)8(6-9)7-15-5-4-11(16)14-12(15)17/h2-6H,7H2,1H3,(H,14,16,17).
What are the key properties of 1-[(2-bromo-5-methoxyphenyl)methyl]pyrimidine-2,4-dione?
1-[(2-bromo-5-methoxyphenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 311.14 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-methoxyphenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 65327229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).