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

C8H8IN3O3 — CID 66310989

IUPAC5-[(5-iodo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cncc(I)c2=O)O1
InChIInChI=1S/C8H8IN3O3/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)
InChIKeySDJGUXSZVGHOMH-UHFFFAOYSA-N
MW321.07 g/mol
LogP-0.04
Rot. Bonds2

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

5-[(5-iodo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 66310989) has the molecular formula C8H8IN3O3 and a molecular weight of 321.07 g/mol. Its IUPAC name is 5-[(5-iodo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(5-iodo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID66310989
Molecular FormulaC8H8IN3O3
Molecular Weight321.07 g/mol
Exact Mass320.96
IUPAC Name5-[(5-iodo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cncc(I)c2=O)O1
InChIInChI=1S/C8H8IN3O3/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)
InChIKeySDJGUXSZVGHOMH-UHFFFAOYSA-N
XLogP-0.04
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.07
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(5-Bromo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one
CID 66308928
5-Iodo-3-(morpholin-2-ylmethyl)pyrimidin-4-one
CID 66309294
5-Iodo-3-[3-(2-methoxyethylamino)propyl]pyrimidin-4-one
CID 66309945
5-[(5-Iodo-4-methyl-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one
CID 66340873
5-[(5-Iodo-2-methyl-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one
CID 66340922
5-[(4-Chloro-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one
CID 114582199
5-[(4-Chloro-5-iodo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one
CID 114583922
5-[(6-Oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one
CID 116622763

Frequently Asked Questions

What is the IUPAC name of 5-[(5-iodo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(5-iodo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one (CID 66310989) is 5-[(5-iodo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(5-iodo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(5-iodo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one is O=C1NCC(Cn2cncc(I)c2=O)O1.
What is the InChIKey of 5-[(5-iodo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is SDJGUXSZVGHOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8IN3O3/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-iodo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one?
5-[(5-iodo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 321.07 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-iodo-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 66310989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).