4-(azetidin-3-yloxy)-5-iodo-1H-pyrimidin-6-one

C7H8IN3O2 — CID 114586450

IUPAC4-(azetidin-3-yloxy)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OC2CNC2)c1I
InChIInChI=1S/C7H8IN3O2/c8-5-6(12)10-3-11-7(5)13-4-1-9-2-4/h3-4,9H,1-2H2,(H,10,11,12)
InChIKeyWBJQWBCYMHCHHE-UHFFFAOYSA-N
MW293.06 g/mol
LogP-0.27
Rot. Bonds2

About 4-(azetidin-3-yloxy)-5-iodo-1H-pyrimidin-6-one

4-(azetidin-3-yloxy)-5-iodo-1H-pyrimidin-6-one (PubChem CID 114586450) has the molecular formula C7H8IN3O2 and a molecular weight of 293.06 g/mol. Its IUPAC name is 4-(azetidin-3-yloxy)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(azetidin-3-yloxy)-5-iodo-1H-pyrimidin-6-one
PubChem CID114586450
Molecular FormulaC7H8IN3O2
Molecular Weight293.06 g/mol
Exact Mass292.97
IUPAC Name4-(azetidin-3-yloxy)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OC2CNC2)c1I
InChIInChI=1S/C7H8IN3O2/c8-5-6(12)10-3-11-7(5)13-4-1-9-2-4/h3-4,9H,1-2H2,(H,10,11,12)
InChIKeyWBJQWBCYMHCHHE-UHFFFAOYSA-N
XLogP-0.27
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.06
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one
CID 102607197
5-iodo-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586305
5-iodo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
CID 114586315
4-[2-(ethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one
CID 114586334
5-iodo-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586343
4-(2-aminoethoxy)-5-iodo-1H-pyrimidin-6-one
CID 114586362
4-(3-aminopropoxy)-5-iodo-1H-pyrimidin-6-one
CID 114586372
5-iodo-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586388
4-(azetidin-3-yloxy)-5-chloro-1H-pyrimidin-6-one
CID 114586441
4-(azetidin-3-yloxy)-1H-pyrimidin-6-one
CID 114586442
4-(azetidin-3-yloxy)-5-methoxy-1H-pyrimidin-6-one
CID 114586446
4-(azetidin-3-yloxy)-5-bromo-1H-pyrimidin-6-one
CID 114586447

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yloxy)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(azetidin-3-yloxy)-5-iodo-1H-pyrimidin-6-one (CID 114586450) is 4-(azetidin-3-yloxy)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(azetidin-3-yloxy)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(azetidin-3-yloxy)-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(OC2CNC2)c1I.
What is the InChIKey of 4-(azetidin-3-yloxy)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is WBJQWBCYMHCHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8IN3O2/c8-5-6(12)10-3-11-7(5)13-4-1-9-2-4/h3-4,9H,1-2H2,(H,10,11,12).
What are the key properties of 4-(azetidin-3-yloxy)-5-iodo-1H-pyrimidin-6-one?
4-(azetidin-3-yloxy)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 293.06 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yloxy)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 114586450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).