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

C12H10BrIN2O3 — CID 79784796

IUPAC1-[(5-bromo-2-methoxyphenyl)methyl]-5-iodopyrimidine-2,4-dione
SMILESCOc1ccc(Br)cc1Cn1cc(I)c(=O)[nH]c1=O
InChIInChI=1S/C12H10BrIN2O3/c1-19-10-3-2-8(13)4-7(10)5-16-6-9(14)11(17)15-12(16)18/h2-4,6H,5H2,1H3,(H,15,17,18)
InChIKeyBUCJZMHPZNAUHV-UHFFFAOYSA-N
MW437.03 g/mol
LogP1.96
Rot. Bonds3

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

1-[(5-bromo-2-methoxyphenyl)methyl]-5-iodopyrimidine-2,4-dione (PubChem CID 79784796) has the molecular formula C12H10BrIN2O3 and a molecular weight of 437.03 g/mol. Its IUPAC name is 1-[(5-bromo-2-methoxyphenyl)methyl]-5-iodopyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(5-bromo-2-methoxyphenyl)methyl]-5-iodopyrimidine-2,4-dione
PubChem CID79784796
Molecular FormulaC12H10BrIN2O3
Molecular Weight437.03 g/mol
Exact Mass435.89
IUPAC Name1-[(5-bromo-2-methoxyphenyl)methyl]-5-iodopyrimidine-2,4-dione
SMILESCOc1ccc(Br)cc1Cn1cc(I)c(=O)[nH]c1=O
InChIInChI=1S/C12H10BrIN2O3/c1-19-10-3-2-8(13)4-7(10)5-16-6-9(14)11(17)15-12(16)18/h2-4,6H,5H2,1H3,(H,15,17,18)
InChIKeyBUCJZMHPZNAUHV-UHFFFAOYSA-N
XLogP1.96
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.03
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[(5-amino-2-methoxyphenyl)methyl]-5-chloropyrimidine-2,4-dione
CID 66423554
1-[(5-bromo-2-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione
CID 66329734
1-[(5-bromo-2-methoxyphenyl)methyl]-3-iodo-4-methylpyrazole
CID 79787179
1-[(2-methoxy-5-nitrophenyl)methyl]-5-methylpyrimidine-2,4-dione
CID 60734739
3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-4-methoxybenzoic acid
CID 63556801
2-[(5-bromo-2-methoxyphenyl)methyl]isoquinolin-1-one
CID 78915730
1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-2,6-dione
CID 54970604
1-[(2-amino-4-bromophenyl)methyl]-5-methylpyrimidine-2,4-dione
CID 114380613
5-iodo-1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpyridin-2-one
CID 79785107
4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene
CID 10693794
1-[(5-bromo-2-methoxyphenyl)methyl]-3,3-dimethylpiperazine-2,6-dione
CID 66069421
1-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrol-2-yl]-N-methylmethanamine
CID 66402900

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]-5-iodopyrimidine-2,4-dione?
The IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]-5-iodopyrimidine-2,4-dione (CID 79784796) is 1-[(5-bromo-2-methoxyphenyl)methyl]-5-iodopyrimidine-2,4-dione.
What is the SMILES notation for 1-[(5-bromo-2-methoxyphenyl)methyl]-5-iodopyrimidine-2,4-dione?
The canonical SMILES for 1-[(5-bromo-2-methoxyphenyl)methyl]-5-iodopyrimidine-2,4-dione is COc1ccc(Br)cc1Cn1cc(I)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(5-bromo-2-methoxyphenyl)methyl]-5-iodopyrimidine-2,4-dione?
The InChIKey is BUCJZMHPZNAUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrIN2O3/c1-19-10-3-2-8(13)4-7(10)5-16-6-9(14)11(17)15-12(16)18/h2-4,6H,5H2,1H3,(H,15,17,18).
What are the key properties of 1-[(5-bromo-2-methoxyphenyl)methyl]-5-iodopyrimidine-2,4-dione?
1-[(5-bromo-2-methoxyphenyl)methyl]-5-iodopyrimidine-2,4-dione has a molecular weight of 437.03 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-methoxyphenyl)methyl]-5-iodopyrimidine-2,4-dione is sourced from PubChem (CID 79784796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).