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

C7H7IN2O3 — CID 102607197

IUPAC5-iodo-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OC2COC2)c1I
InChIInChI=1S/C7H7IN2O3/c8-5-6(11)9-3-10-7(5)13-4-1-12-2-4/h3-4H,1-2H2,(H,9,10,11)
InChIKeySCUOWEYLGXTWKA-UHFFFAOYSA-N
MW294.05 g/mol
LogP0.15
Rot. Bonds2

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

5-iodo-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one (PubChem CID 102607197) has the molecular formula C7H7IN2O3 and a molecular weight of 294.05 g/mol. Its IUPAC name is 5-iodo-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one
PubChem CID102607197
Molecular FormulaC7H7IN2O3
Molecular Weight294.05 g/mol
Exact Mass293.95
IUPAC Name5-iodo-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OC2COC2)c1I
InChIInChI=1S/C7H7IN2O3/c8-5-6(11)9-3-10-7(5)13-4-1-12-2-4/h3-4H,1-2H2,(H,9,10,11)
InChIKeySCUOWEYLGXTWKA-UHFFFAOYSA-N
XLogP0.15
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.05
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyrimidin-6-one
CID 114676491
5-iodo-4-pentan-2-yloxy-1H-pyrimidin-6-one
CID 102983147
5-amino-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one
CID 103242081
4-(1-ethoxypropan-2-yloxy)-5-iodo-1H-pyrimidin-6-one
CID 103489529
4-(azetidin-3-yloxy)-5-iodo-1H-pyrimidin-6-one
CID 114586450
4-(2-butoxyethoxy)-5-iodo-1H-pyrimidin-6-one
CID 114675890
6-Ethoxy-5-iodopyrimidin-4(3h)-one
CID 114675914
4-(2-ethoxyethoxy)-5-iodo-1H-pyrimidin-6-one
CID 114676069
5-iodo-4-propan-2-yloxy-1H-pyrimidin-6-one
CID 114676107
5-iodo-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one
CID 114676112
5-iodo-4-(2-methoxyethoxy)-1H-pyrimidin-6-one
CID 114676130
4-(2-hydroxyethoxy)-5-iodo-1H-pyrimidin-6-one
CID 114676174

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one (CID 102607197) is 5-iodo-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one is O=c1[nH]cnc(OC2COC2)c1I.
What is the InChIKey of 5-iodo-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one?
The InChIKey is SCUOWEYLGXTWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7IN2O3/c8-5-6(11)9-3-10-7(5)13-4-1-12-2-4/h3-4H,1-2H2,(H,9,10,11).
What are the key properties of 5-iodo-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one?
5-iodo-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one has a molecular weight of 294.05 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 102607197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).