5-bromo-1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione

C9H10BrN3O4 — CID 146123254

IUPAC5-bromo-1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CC(O)C1
InChIInChI=1S/C9H10BrN3O4/c10-6-3-13(9(17)11-8(6)16)4-7(15)12-1-5(14)2-12/h3,5,14H,1-2,4H2,(H,11,16,17)
InChIKeyPHIUEICVWGLDMG-UHFFFAOYSA-N
MW304.10 g/mol
LogP-1.50
Rot. Bonds2

About 5-bromo-1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione

5-bromo-1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 146123254) has the molecular formula C9H10BrN3O4 and a molecular weight of 304.10 g/mol. Its IUPAC name is 5-bromo-1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID146123254
Molecular FormulaC9H10BrN3O4
Molecular Weight304.10 g/mol
Exact Mass302.99
IUPAC Name5-bromo-1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CC(O)C1
InChIInChI=1S/C9H10BrN3O4/c10-6-3-13(9(17)11-8(6)16)4-7(15)12-1-5(14)2-12/h3,5,14H,1-2,4H2,(H,11,16,17)
InChIKeyPHIUEICVWGLDMG-UHFFFAOYSA-N
XLogP-1.50
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.10
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-1-(2-chloroprop-2-enyl)pyrimidine-2,4-dione
CID 63776724
5-bromo-1-[2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 86868783
1-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-bromopyrimidine-2,4-dione
CID 119435455
5-bromo-1-(3-methylbut-2-enyl)pyrimidine-2,4-dione
CID 63779091
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-cyclopropylethyl]-N-methylacetamide
CID 97086030
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(1-cyclopropylethyl)-N-methylacetamide
CID 71896754
1-[(3S,4S)-1-(3-aminopropanoyl)-4-hydroxypyrrolidin-3-yl]-5-bromopyrimidine-2,4-dione
CID 110154422
1-[2-[(3aR,7aS)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
CID 91796498
N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide
CID 124732047
5-bromo-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 63776539
(2S)-2-[[2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 119943030
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(cycloheptylamino)ethyl]acetamide;hydrochloride
CID 119619861

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione (CID 146123254) is 5-bromo-1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione is O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CC(O)C1.
What is the InChIKey of 5-bromo-1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is PHIUEICVWGLDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O4/c10-6-3-13(9(17)11-8(6)16)4-7(15)12-1-5(14)2-12/h3,5,14H,1-2,4H2,(H,11,16,17).
What are the key properties of 5-bromo-1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione?
5-bromo-1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 304.10 g/mol, XLogP of -1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 146123254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).