5-bromo-1-[5-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione

C10H13BrN2O4 — CID 19350813

IUPAC5-bromo-1-[5-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2CCC(CO)CO2)cc1Br
InChIInChI=1S/C10H13BrN2O4/c11-7-3-13(10(16)12-9(7)15)8-2-1-6(4-14)5-17-8/h3,6,8,14H,1-2,4-5H2,(H,12,15,16)
InChIKeyNGINTDWHUHNUFH-UHFFFAOYSA-N
MW305.13 g/mol
LogP0.22
Rot. Bonds2

About 5-bromo-1-[5-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione

5-bromo-1-[5-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione (PubChem CID 19350813) has the molecular formula C10H13BrN2O4 and a molecular weight of 305.13 g/mol. Its IUPAC name is 5-bromo-1-[5-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-[5-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione
PubChem CID19350813
Molecular FormulaC10H13BrN2O4
Molecular Weight305.13 g/mol
Exact Mass304.01
IUPAC Name5-bromo-1-[5-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2CCC(CO)CO2)cc1Br
InChIInChI=1S/C10H13BrN2O4/c11-7-3-13(10(16)12-9(7)15)8-2-1-6(4-14)5-17-8/h3,6,8,14H,1-2,4-5H2,(H,12,15,16)
InChIKeyNGINTDWHUHNUFH-UHFFFAOYSA-N
XLogP0.22
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-1-[(2S,5S)-5-(hydroxymethyl)-4-sulfanyloxolan-2-yl]pyrimidine-2,4-dione
CID 57050849
5-bromo-1-[(2R,5R)-5-(hydroxymethyl)-4-sulfanyloxolan-2-yl]pyrimidine-2,4-dione
CID 89322221
5-bromo-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;oxane
CID 68762751
5-bromo-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 66760234
5-bromo-1-[(4S,5S)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
CID 101108223
1-[5-(azidomethyl)-4-hydroxyoxolan-2-yl]-5-bromopyrimidine-2,4-dione
CID 21148983
1-[(4aR,6R,7aS)-2,2-dihydroxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-ium-6-yl]-5-bromopyrimidine-2,4-dione;azane
CID 90663807
5-bromo-1-[(4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 176809437
5-bromo-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 5271380
[2-[5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-2-oxoethyl]phosphonic acid
CID 21149031
1-[(2R,5S)-5-(azidooxymethyl)oxolan-2-yl]-5-bromopyrimidine-2,4-dione
CID 67854076
5-(1,3-dioxolan-2-yl)-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70925341

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[5-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-[5-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione (CID 19350813) is 5-bromo-1-[5-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-[5-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-[5-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(C2CCC(CO)CO2)cc1Br.
What is the InChIKey of 5-bromo-1-[5-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione?
The InChIKey is NGINTDWHUHNUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O4/c11-7-3-13(10(16)12-9(7)15)8-2-1-6(4-14)5-17-8/h3,6,8,14H,1-2,4-5H2,(H,12,15,16).
What are the key properties of 5-bromo-1-[5-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione?
5-bromo-1-[5-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione has a molecular weight of 305.13 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[5-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 19350813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).