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

C9H10IN3O3 — CID 66340922

IUPAC5-[(5-iodo-2-methyl-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCc1ncc(I)c(=O)n1CC1CNC(=O)O1
InChIInChI=1S/C9H10IN3O3/c1-5-11-3-7(10)8(14)13(5)4-6-2-12-9(15)16-6/h3,6H,2,4H2,1H3,(H,12,15)
InChIKeyBXJDKVTZGNOZRX-UHFFFAOYSA-N
MW335.10 g/mol
LogP0.26
Rot. Bonds2

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

5-[(5-iodo-2-methyl-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 66340922) has the molecular formula C9H10IN3O3 and a molecular weight of 335.10 g/mol. Its IUPAC name is 5-[(5-iodo-2-methyl-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(5-iodo-2-methyl-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID66340922
Molecular FormulaC9H10IN3O3
Molecular Weight335.10 g/mol
Exact Mass334.98
IUPAC Name5-[(5-iodo-2-methyl-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCc1ncc(I)c(=O)n1CC1CNC(=O)O1
InChIInChI=1S/C9H10IN3O3/c1-5-11-3-7(10)8(14)13(5)4-6-2-12-9(15)16-6/h3,6H,2,4H2,1H3,(H,12,15)
InChIKeyBXJDKVTZGNOZRX-UHFFFAOYSA-N
XLogP0.26
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.10
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(5-iodo-2-methyl-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(5-iodo-2-methyl-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one (CID 66340922) is 5-[(5-iodo-2-methyl-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(5-iodo-2-methyl-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(5-iodo-2-methyl-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one is Cc1ncc(I)c(=O)n1CC1CNC(=O)O1.
What is the InChIKey of 5-[(5-iodo-2-methyl-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is BXJDKVTZGNOZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN3O3/c1-5-11-3-7(10)8(14)13(5)4-6-2-12-9(15)16-6/h3,6H,2,4H2,1H3,(H,12,15).
What are the key properties of 5-[(5-iodo-2-methyl-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one?
5-[(5-iodo-2-methyl-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 335.10 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-iodo-2-methyl-6-oxopyrimidin-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 66340922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).