5-bromo-1-(2-hydroxy-3-methoxypropyl)pyrimidine-2,4-dione

C8H11BrN2O4 — CID 15539572

IUPAC5-bromo-1-(2-hydroxy-3-methoxypropyl)pyrimidine-2,4-dione
SMILESCOCC(O)Cn1cc(Br)c(=O)[nH]c1=O
InChIInChI=1S/C8H11BrN2O4/c1-15-4-5(12)2-11-3-6(9)7(13)10-8(11)14/h3,5,12H,2,4H2,1H3,(H,10,13,14)
InChIKeyVFFDATOUDAOMEM-UHFFFAOYSA-N
MW279.09 g/mol
LogP-0.69
Rot. Bonds4

About 5-bromo-1-(2-hydroxy-3-methoxypropyl)pyrimidine-2,4-dione

5-bromo-1-(2-hydroxy-3-methoxypropyl)pyrimidine-2,4-dione (PubChem CID 15539572) has the molecular formula C8H11BrN2O4 and a molecular weight of 279.09 g/mol. Its IUPAC name is 5-bromo-1-(2-hydroxy-3-methoxypropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-(2-hydroxy-3-methoxypropyl)pyrimidine-2,4-dione
PubChem CID15539572
Molecular FormulaC8H11BrN2O4
Molecular Weight279.09 g/mol
Exact Mass277.99
IUPAC Name5-bromo-1-(2-hydroxy-3-methoxypropyl)pyrimidine-2,4-dione
SMILESCOCC(O)Cn1cc(Br)c(=O)[nH]c1=O
InChIInChI=1S/C8H11BrN2O4/c1-15-4-5(12)2-11-3-6(9)7(13)10-8(11)14/h3,5,12H,2,4H2,1H3,(H,10,13,14)
InChIKeyVFFDATOUDAOMEM-UHFFFAOYSA-N
XLogP-0.69
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.09
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 63778343
1-[(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-5-bromopyrimidine-2,4-dione
CID 54753566
5-bromo-1-(3-methylbut-2-enyl)pyrimidine-2,4-dione
CID 63779091
5-bromo-1-(4-oxohexyl)pyrimidine-2,4-dione
CID 106801777
2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetaldehyde
CID 63776711
1-(3-hydroxy-4-methoxybutyl)-2,4-dioxopyrimidine-5-carbonitrile
CID 106248127
5-bromo-1-(2-chloroprop-2-enyl)pyrimidine-2,4-dione
CID 63776724
1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione
CID 24752409
1-[(E)-4-aminobut-2-enyl]-5-bromopyrimidine-2,4-dione
CID 66046583
5-bromo-1-octylpyrimidine-2,4-dione
CID 55237695
(2S)-2-[[2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 119943030
1-(3-chloro-2-hydroxypropyl)-5-fluoropyrimidine-2,4-dione
CID 3869192

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-hydroxy-3-methoxypropyl)pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-(2-hydroxy-3-methoxypropyl)pyrimidine-2,4-dione (CID 15539572) is 5-bromo-1-(2-hydroxy-3-methoxypropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-(2-hydroxy-3-methoxypropyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-(2-hydroxy-3-methoxypropyl)pyrimidine-2,4-dione is COCC(O)Cn1cc(Br)c(=O)[nH]c1=O.
What is the InChIKey of 5-bromo-1-(2-hydroxy-3-methoxypropyl)pyrimidine-2,4-dione?
The InChIKey is VFFDATOUDAOMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O4/c1-15-4-5(12)2-11-3-6(9)7(13)10-8(11)14/h3,5,12H,2,4H2,1H3,(H,10,13,14).
What are the key properties of 5-bromo-1-(2-hydroxy-3-methoxypropyl)pyrimidine-2,4-dione?
5-bromo-1-(2-hydroxy-3-methoxypropyl)pyrimidine-2,4-dione has a molecular weight of 279.09 g/mol, XLogP of -0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-hydroxy-3-methoxypropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 15539572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).