1-bromopyrimidine-2,4-dione

C4H3BrN2O2 — CID 18634533

IUPAC1-bromopyrimidine-2,4-dione
SMILESO=c1ccn(Br)c(=O)[nH]1
InChIInChI=1S/C4H3BrN2O2/c5-7-2-1-3(8)6-4(7)9/h1-2H,(H,6,8,9)
InChIKeyBTAUKHRWBSSTTN-UHFFFAOYSA-N
MW190.98 g/mol
LogP-0.31
Rot. Bonds

About 1-bromopyrimidine-2,4-dione

1-bromopyrimidine-2,4-dione (PubChem CID 18634533) has the molecular formula C4H3BrN2O2 and a molecular weight of 190.98 g/mol. Its IUPAC name is 1-bromopyrimidine-2,4-dione.

Molecular Properties

Compound Name1-bromopyrimidine-2,4-dione
PubChem CID18634533
Molecular FormulaC4H3BrN2O2
Molecular Weight190.98 g/mol
Exact Mass189.94
IUPAC Name1-bromopyrimidine-2,4-dione
SMILESO=c1ccn(Br)c(=O)[nH]1
InChIInChI=1S/C4H3BrN2O2/c5-7-2-1-3(8)6-4(7)9/h1-2H,(H,6,8,9)
InChIKeyBTAUKHRWBSSTTN-UHFFFAOYSA-N
XLogP-0.31
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.98
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyrrol-1-ylpyrimidine-2,4-dione
CID 174941704
1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione
CID 57209539
ethane;1-methylpyrimidine-2,4-dione
CID 91098384
1-(selanylmethyl)pyrimidine-2,4-dione
CID 173469434
(2,4-dioxopyrimidin-1-yl) thiohypoiodite
CID 23446998
1-(methylamino)pyrimidine-2,4-dione
CID 68682640
1-hydrazinylpyrimidine-2,4-dione
CID 57419744
2,4-dioxopyrimidine-1-carboxamide
CID 54056435
2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetic acid
CID 66599108
2,4-dioxopyrimidine-1-carboxylic acid;zinc
CID 174838815
1-(2-aminoethyl)pyrimidine-2,4-dione
CID 10964739
1-(2,2-dihydroxyethyl)pyrimidine-2,4-dione
CID 131057862

Frequently Asked Questions

What is the IUPAC name of 1-bromopyrimidine-2,4-dione?
The IUPAC name of 1-bromopyrimidine-2,4-dione (CID 18634533) is 1-bromopyrimidine-2,4-dione.
What is the SMILES notation for 1-bromopyrimidine-2,4-dione?
The canonical SMILES for 1-bromopyrimidine-2,4-dione is O=c1ccn(Br)c(=O)[nH]1.
What is the InChIKey of 1-bromopyrimidine-2,4-dione?
The InChIKey is BTAUKHRWBSSTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrN2O2/c5-7-2-1-3(8)6-4(7)9/h1-2H,(H,6,8,9).
What are the key properties of 1-bromopyrimidine-2,4-dione?
1-bromopyrimidine-2,4-dione has a molecular weight of 190.98 g/mol, XLogP of -0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromopyrimidine-2,4-dione is sourced from PubChem (CID 18634533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).