5-(bromomethyl)-1-[(2R,5R)-5-ethyloxolan-2-yl]pyrimidine-2,4-dione

C11H15BrN2O3 — CID 89276023

IUPAC5-(bromomethyl)-1-[(2R,5R)-5-ethyloxolan-2-yl]pyrimidine-2,4-dione
SMILESCC[C@@H]1CC[C@H](n2cc(CBr)c(=O)[nH]c2=O)O1
InChIInChI=1S/C11H15BrN2O3/c1-2-8-3-4-9(17-8)14-6-7(5-12)10(15)13-11(14)16/h6,8-9H,2-5H2,1H3,(H,13,15,16)/t8-,9-/m1/s1
InChIKeyUBXGJWPMWLBICR-RKDXNWHRSA-N
MW303.16 g/mol
LogP1.52
Rot. Bonds3

About 5-(bromomethyl)-1-[(2R,5R)-5-ethyloxolan-2-yl]pyrimidine-2,4-dione

5-(bromomethyl)-1-[(2R,5R)-5-ethyloxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 89276023) has the molecular formula C11H15BrN2O3 and a molecular weight of 303.16 g/mol. Its IUPAC name is 5-(bromomethyl)-1-[(2R,5R)-5-ethyloxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(bromomethyl)-1-[(2R,5R)-5-ethyloxolan-2-yl]pyrimidine-2,4-dione
PubChem CID89276023
Molecular FormulaC11H15BrN2O3
Molecular Weight303.16 g/mol
Exact Mass302.03
IUPAC Name5-(bromomethyl)-1-[(2R,5R)-5-ethyloxolan-2-yl]pyrimidine-2,4-dione
SMILESCC[C@@H]1CC[C@H](n2cc(CBr)c(=O)[nH]c2=O)O1
InChIInChI=1S/C11H15BrN2O3/c1-2-8-3-4-9(17-8)14-6-7(5-12)10(15)13-11(14)16/h6,8-9H,2-5H2,1H3,(H,13,15,16)/t8-,9-/m1/s1
InChIKeyUBXGJWPMWLBICR-RKDXNWHRSA-N
XLogP1.52
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(5-ethyloxolan-2-yl)-5-fluoropyrimidine-2,4-dione
CID 142167597
[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate
CID 164881982
ethane;[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite
CID 142985863
1-[5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;sulfanol
CID 177038919
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite
CID 170193041
methanethiol;[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxythallium
CID 142985854
5-(1,3-dioxolan-2-yl)-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70925341
1-[5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
CID 169201537
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl propanoate
CID 67831429
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;2H-triazole
CID 67930071
[(2R,3S,5R)-5-[5-(bromomethyl)-2,4-dioxopyrimidin-1-yl]-3-fluorooxolan-2-yl]methyl acetate
CID 15614057
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxyphosphinous acid
CID 166965850

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-1-[(2R,5R)-5-ethyloxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-(bromomethyl)-1-[(2R,5R)-5-ethyloxolan-2-yl]pyrimidine-2,4-dione (CID 89276023) is 5-(bromomethyl)-1-[(2R,5R)-5-ethyloxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(bromomethyl)-1-[(2R,5R)-5-ethyloxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-(bromomethyl)-1-[(2R,5R)-5-ethyloxolan-2-yl]pyrimidine-2,4-dione is CC[C@@H]1CC[C@H](n2cc(CBr)c(=O)[nH]c2=O)O1.
What is the InChIKey of 5-(bromomethyl)-1-[(2R,5R)-5-ethyloxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is UBXGJWPMWLBICR-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H15BrN2O3/c1-2-8-3-4-9(17-8)14-6-7(5-12)10(15)13-11(14)16/h6,8-9H,2-5H2,1H3,(H,13,15,16)/t8-,9-/m1/s1.
What are the key properties of 5-(bromomethyl)-1-[(2R,5R)-5-ethyloxolan-2-yl]pyrimidine-2,4-dione?
5-(bromomethyl)-1-[(2R,5R)-5-ethyloxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 303.16 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-1-[(2R,5R)-5-ethyloxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 89276023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).