5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one

C8H8BrN3O3 — CID 66308928

IUPAC5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cncc(Br)c2=O)O1
InChIInChI=1S/C8H8BrN3O3/c9-6-2-10-4-12(7(6)13)3-5-1-11-8(14)15-5/h2,4-5H,1,3H2,(H,11,14)
InChIKeyHYXOPBCCVNVWCF-UHFFFAOYSA-N
MW274.07 g/mol
LogP0.11
Rot. Bonds2

About 5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one

5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 66308928) has the molecular formula C8H8BrN3O3 and a molecular weight of 274.07 g/mol. Its IUPAC name is 5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID66308928
Molecular FormulaC8H8BrN3O3
Molecular Weight274.07 g/mol
Exact Mass272.97
IUPAC Name5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cncc(Br)c2=O)O1
InChIInChI=1S/C8H8BrN3O3/c9-6-2-10-4-12(7(6)13)3-5-1-11-8(14)15-5/h2,4-5H,1,3H2,(H,11,14)
InChIKeyHYXOPBCCVNVWCF-UHFFFAOYSA-N
XLogP0.11
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.07
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one (CID 66308928) is 5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one is O=C1NCC(Cn2cncc(Br)c2=O)O1.
What is the InChIKey of 5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is HYXOPBCCVNVWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O3/c9-6-2-10-4-12(7(6)13)3-5-1-11-8(14)15-5/h2,4-5H,1,3H2,(H,11,14).
What are the key properties of 5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one?
5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 274.07 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 66308928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).