5-bromo-6-(2-oxopropyl)-1H-pyrimidine-2,4-dione

C7H7BrN2O3 — CID 83866861

IUPAC5-bromo-6-(2-oxopropyl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)Cc1[nH]c(=O)[nH]c(=O)c1Br
InChIInChI=1S/C7H7BrN2O3/c1-3(11)2-4-5(8)6(12)10-7(13)9-4/h2H2,1H3,(H2,9,10,12,13)
InChIKeyHQHYXXPZGSZEAY-UHFFFAOYSA-N
MW247.05 g/mol
LogP-0.04
Rot. Bonds2

About 5-bromo-6-(2-oxopropyl)-1H-pyrimidine-2,4-dione

5-bromo-6-(2-oxopropyl)-1H-pyrimidine-2,4-dione (PubChem CID 83866861) has the molecular formula C7H7BrN2O3 and a molecular weight of 247.05 g/mol. Its IUPAC name is 5-bromo-6-(2-oxopropyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-6-(2-oxopropyl)-1H-pyrimidine-2,4-dione
PubChem CID83866861
Molecular FormulaC7H7BrN2O3
Molecular Weight247.05 g/mol
Exact Mass245.96
IUPAC Name5-bromo-6-(2-oxopropyl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)Cc1[nH]c(=O)[nH]c(=O)c1Br
InChIInChI=1S/C7H7BrN2O3/c1-3(11)2-4-5(8)6(12)10-7(13)9-4/h2H2,1H3,(H2,9,10,12,13)
InChIKeyHQHYXXPZGSZEAY-UHFFFAOYSA-N
XLogP-0.04
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.05
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-6-propylpyrimidine-2,4(1H,3H)-dione
CID 13384066
5-bromo-6-ethyl-2,4(1H,3H)pyrimidinedione
CID 13384065
5-bromo-6-pentyl-1H-pyrimidine-2,4-dione
CID 235881
5-bromo-6-propan-2-yl-1H-pyrimidine-2,4-dione
CID 82390201
6-(3-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione
CID 83866855
6-acetyl-5-bromo-1H-pyrimidine-2,4-dione
CID 83866860
5-bromo-6-(3-oxobutan-2-yl)-1H-pyrimidine-2,4-dione
CID 83866862
5-bromo-6-(3-oxobutyl)-1H-pyrimidine-2,4-dione
CID 83866864
5-bromo-6-(2-oxobutyl)-1H-pyrimidine-2,4-dione
CID 83866865
5-bromo-6-(2-methylpropyl)-1H-pyrimidine-2,4-dione
CID 104327175
5-bromo-6-cyclopropyl-1H-pyrimidine-2,4-dione
CID 121598721

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(2-oxopropyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-6-(2-oxopropyl)-1H-pyrimidine-2,4-dione (CID 83866861) is 5-bromo-6-(2-oxopropyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-6-(2-oxopropyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-6-(2-oxopropyl)-1H-pyrimidine-2,4-dione is CC(=O)Cc1[nH]c(=O)[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-6-(2-oxopropyl)-1H-pyrimidine-2,4-dione?
The InChIKey is HQHYXXPZGSZEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O3/c1-3(11)2-4-5(8)6(12)10-7(13)9-4/h2H2,1H3,(H2,9,10,12,13).
What are the key properties of 5-bromo-6-(2-oxopropyl)-1H-pyrimidine-2,4-dione?
5-bromo-6-(2-oxopropyl)-1H-pyrimidine-2,4-dione has a molecular weight of 247.05 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(2-oxopropyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 83866861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).