5-bromo-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione

C8H11BrN2O2 — CID 15313930

IUPAC5-bromo-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione
SMILESCC(C)Cn1c(=O)[nH]cc(Br)c1=O
InChIInChI=1S/C8H11BrN2O2/c1-5(2)4-11-7(12)6(9)3-10-8(11)13/h3,5H,4H2,1-2H3,(H,10,13)
InChIKeyVZUVLFYVVUWMLF-UHFFFAOYSA-N
MW247.09 g/mol
LogP0.96
Rot. Bonds2

About 5-bromo-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione

5-bromo-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione (PubChem CID 15313930) has the molecular formula C8H11BrN2O2 and a molecular weight of 247.09 g/mol. Its IUPAC name is 5-bromo-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione
PubChem CID15313930
Molecular FormulaC8H11BrN2O2
Molecular Weight247.09 g/mol
Exact Mass246.00
IUPAC Name5-bromo-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione
SMILESCC(C)Cn1c(=O)[nH]cc(Br)c1=O
InChIInChI=1S/C8H11BrN2O2/c1-5(2)4-11-7(12)6(9)3-10-8(11)13/h3,5H,4H2,1-2H3,(H,10,13)
InChIKeyVZUVLFYVVUWMLF-UHFFFAOYSA-N
XLogP0.96
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione (CID 15313930) is 5-bromo-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione is CC(C)Cn1c(=O)[nH]cc(Br)c1=O.
What is the InChIKey of 5-bromo-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione?
The InChIKey is VZUVLFYVVUWMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O2/c1-5(2)4-11-7(12)6(9)3-10-8(11)13/h3,5H,4H2,1-2H3,(H,10,13).
What are the key properties of 5-bromo-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione?
5-bromo-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione has a molecular weight of 247.09 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 15313930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).