5-(2,2-dibromoacetyl)-1-nonylpyrimidine-2,4-dione

C15H22Br2N2O3 — CID 56691439

IUPAC5-(2,2-dibromoacetyl)-1-nonylpyrimidine-2,4-dione
SMILESCCCCCCCCCn1cc(C(=O)C(Br)Br)c(=O)[nH]c1=O
InChIInChI=1S/C15H22Br2N2O3/c1-2-3-4-5-6-7-8-9-19-10-11(12(20)13(16)17)14(21)18-15(19)22/h10,13H,2-9H2,1H3,(H,18,21,22)
InChIKeyWLPVXJVMMRNVSR-UHFFFAOYSA-N
MW438.16 g/mol
LogP3.59
Rot. Bonds10

About 5-(2,2-dibromoacetyl)-1-nonylpyrimidine-2,4-dione

5-(2,2-dibromoacetyl)-1-nonylpyrimidine-2,4-dione (PubChem CID 56691439) has the molecular formula C15H22Br2N2O3 and a molecular weight of 438.16 g/mol. Its IUPAC name is 5-(2,2-dibromoacetyl)-1-nonylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2,2-dibromoacetyl)-1-nonylpyrimidine-2,4-dione
PubChem CID56691439
Molecular FormulaC15H22Br2N2O3
Molecular Weight438.16 g/mol
Exact Mass436.00
IUPAC Name5-(2,2-dibromoacetyl)-1-nonylpyrimidine-2,4-dione
SMILESCCCCCCCCCn1cc(C(=O)C(Br)Br)c(=O)[nH]c1=O
InChIInChI=1S/C15H22Br2N2O3/c1-2-3-4-5-6-7-8-9-19-10-11(12(20)13(16)17)14(21)18-15(19)22/h10,13H,2-9H2,1H3,(H,18,21,22)
InChIKeyWLPVXJVMMRNVSR-UHFFFAOYSA-N
XLogP3.59
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.16
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-1-octylpyrimidine-2,4-dione
CID 55237695
1-octyl-2,4-dioxopyrimidine-5-carbonitrile
CID 115565221
5-iodo-1-pentylpyrimidine-2,4-dione
CID 79784699
1-[4-(dimethylamino)butyl]-2,4-dioxopyrimidine-5-carboxylic acid
CID 79875074
5-(3-methylthiophen-2-yl)-1-pentylpyrimidine-2,4-dione
CID 58994211
decyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
CID 101049324
1-butyl-2,4-dioxopyrimidine-5-carbaldehyde
CID 58592842
5-bromo-1-(4-oxohexyl)pyrimidine-2,4-dione
CID 106801777
4-(5-ethyl-2,4-dioxopyrimidin-1-yl)butanenitrile
CID 66330702
3-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-pentylpropanamide
CID 11277154
1-(5-chloropentyl)-5-methylpyrimidine-2,4-dione
CID 59337581
6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione
CID 112601536

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dibromoacetyl)-1-nonylpyrimidine-2,4-dione?
The IUPAC name of 5-(2,2-dibromoacetyl)-1-nonylpyrimidine-2,4-dione (CID 56691439) is 5-(2,2-dibromoacetyl)-1-nonylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(2,2-dibromoacetyl)-1-nonylpyrimidine-2,4-dione?
The canonical SMILES for 5-(2,2-dibromoacetyl)-1-nonylpyrimidine-2,4-dione is CCCCCCCCCn1cc(C(=O)C(Br)Br)c(=O)[nH]c1=O.
What is the InChIKey of 5-(2,2-dibromoacetyl)-1-nonylpyrimidine-2,4-dione?
The InChIKey is WLPVXJVMMRNVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Br2N2O3/c1-2-3-4-5-6-7-8-9-19-10-11(12(20)13(16)17)14(21)18-15(19)22/h10,13H,2-9H2,1H3,(H,18,21,22).
What are the key properties of 5-(2,2-dibromoacetyl)-1-nonylpyrimidine-2,4-dione?
5-(2,2-dibromoacetyl)-1-nonylpyrimidine-2,4-dione has a molecular weight of 438.16 g/mol, XLogP of 3.59, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dibromoacetyl)-1-nonylpyrimidine-2,4-dione is sourced from PubChem (CID 56691439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).