5-bromo-1-(2-chloroprop-2-enyl)pyrimidine-2,4-dione

C7H6BrClN2O2 — CID 63776724

IUPAC5-bromo-1-(2-chloroprop-2-enyl)pyrimidine-2,4-dione
SMILESC=C(Cl)Cn1cc(Br)c(=O)[nH]c1=O
InChIInChI=1S/C7H6BrClN2O2/c1-4(9)2-11-3-5(8)6(12)10-7(11)13/h3H,1-2H2,(H,10,12,13)
InChIKeyZKKPWSLKTJZMOQ-UHFFFAOYSA-N
MW265.49 g/mol
LogP1.05
Rot. Bonds2

About 5-bromo-1-(2-chloroprop-2-enyl)pyrimidine-2,4-dione

5-bromo-1-(2-chloroprop-2-enyl)pyrimidine-2,4-dione (PubChem CID 63776724) has the molecular formula C7H6BrClN2O2 and a molecular weight of 265.49 g/mol. Its IUPAC name is 5-bromo-1-(2-chloroprop-2-enyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-(2-chloroprop-2-enyl)pyrimidine-2,4-dione
PubChem CID63776724
Molecular FormulaC7H6BrClN2O2
Molecular Weight265.49 g/mol
Exact Mass263.93
IUPAC Name5-bromo-1-(2-chloroprop-2-enyl)pyrimidine-2,4-dione
SMILESC=C(Cl)Cn1cc(Br)c(=O)[nH]c1=O
InChIInChI=1S/C7H6BrClN2O2/c1-4(9)2-11-3-5(8)6(12)10-7(11)13/h3H,1-2H2,(H,10,12,13)
InChIKeyZKKPWSLKTJZMOQ-UHFFFAOYSA-N
XLogP1.05
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.49
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-chloroprop-2-enyl)pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-(2-chloroprop-2-enyl)pyrimidine-2,4-dione (CID 63776724) is 5-bromo-1-(2-chloroprop-2-enyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-(2-chloroprop-2-enyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-(2-chloroprop-2-enyl)pyrimidine-2,4-dione is C=C(Cl)Cn1cc(Br)c(=O)[nH]c1=O.
What is the InChIKey of 5-bromo-1-(2-chloroprop-2-enyl)pyrimidine-2,4-dione?
The InChIKey is ZKKPWSLKTJZMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClN2O2/c1-4(9)2-11-3-5(8)6(12)10-7(11)13/h3H,1-2H2,(H,10,12,13).
What are the key properties of 5-bromo-1-(2-chloroprop-2-enyl)pyrimidine-2,4-dione?
5-bromo-1-(2-chloroprop-2-enyl)pyrimidine-2,4-dione has a molecular weight of 265.49 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-chloroprop-2-enyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63776724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).