1-(4-hydroxy-3-methoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;propyl hypoiodite

C15H25IN2O6 — CID 178052003

IUPAC1-(4-hydroxy-3-methoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;propyl hypoiodite
SMILESCCCC1OC(n2ccc(=O)[nH]c2=O)C(OC)C1O.CCCOI
InChIInChI=1S/C12H18N2O5.C3H7IO/c1-3-4-7-9(16)10(18-2)11(19-7)14-6-5-8(15)13-12(14)17;1-2-3-5-4/h5-7,9-11,16H,3-4H2,1-2H3,(H,13,15,17);2-3H2,1H3
InChIKeyVZPBRKQBAJKBCP-UHFFFAOYSA-N
MW456.28 g/mol
LogP1.37
Rot. Bonds6

About 1-(4-hydroxy-3-methoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;propyl hypoiodite

1-(4-hydroxy-3-methoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;propyl hypoiodite (PubChem CID 178052003) has the molecular formula C15H25IN2O6 and a molecular weight of 456.28 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;propyl hypoiodite.

Molecular Properties

Compound Name1-(4-hydroxy-3-methoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;propyl hypoiodite
PubChem CID178052003
Molecular FormulaC15H25IN2O6
Molecular Weight456.28 g/mol
Exact Mass456.08
IUPAC Name1-(4-hydroxy-3-methoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;propyl hypoiodite
SMILESCCCC1OC(n2ccc(=O)[nH]c2=O)C(OC)C1O.CCCOI
InChIInChI=1S/C12H18N2O5.C3H7IO/c1-3-4-7-9(16)10(18-2)11(19-7)14-6-5-8(15)13-12(14)17;1-2-3-5-4/h5-7,9-11,16H,3-4H2,1-2H3,(H,13,15,17);2-3H2,1H3
InChIKeyVZPBRKQBAJKBCP-UHFFFAOYSA-N
XLogP1.37
TPSA102.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.28
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-(4-hydroxy-3-methoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;propyl hypoiodite with MolForge

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

Launch Full Analysis

Related Compounds

1-[(2R,3R,4R,5R)-5-(1,1-dideuterioethyl)-4-hydroxy-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 164958906
1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 162263889
1-(3,4-dihydroxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione
CID 20822770
1-[(2R,4S)-4-hydroxy-3-methoxy-5-[(propan-2-ylamino)methyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 177291545
1-[(2S,4R,5R)-5-ethyl-3-hydroxy-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 173465356
1-[(2R,5R)-5-ethyl-3-hydroxy-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 70658640
1-[(2R,4R,5S)-5-ethoxy-4-hydroxy-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 175618494
[(2S,3S,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl dihydrogen phosphate
CID 167713224
[5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl dihydrogen phosphate
CID 3274683
1-[(2R,3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 15333745
1-[3-heptoxy-4-hydroxy-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 20762853
2-methylpropyl 2-[5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]ethanesulfonate
CID 178051976

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;propyl hypoiodite?
The IUPAC name of 1-(4-hydroxy-3-methoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;propyl hypoiodite (CID 178052003) is 1-(4-hydroxy-3-methoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;propyl hypoiodite.
What is the SMILES notation for 1-(4-hydroxy-3-methoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;propyl hypoiodite?
The canonical SMILES for 1-(4-hydroxy-3-methoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;propyl hypoiodite is CCCC1OC(n2ccc(=O)[nH]c2=O)C(OC)C1O.CCCOI.
What is the InChIKey of 1-(4-hydroxy-3-methoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;propyl hypoiodite?
The InChIKey is VZPBRKQBAJKBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5.C3H7IO/c1-3-4-7-9(16)10(18-2)11(19-7)14-6-5-8(15)13-12(14)17;1-2-3-5-4/h5-7,9-11,16H,3-4H2,1-2H3,(H,13,15,17);2-3H2,1H3.
What are the key properties of 1-(4-hydroxy-3-methoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;propyl hypoiodite?
1-(4-hydroxy-3-methoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;propyl hypoiodite has a molecular weight of 456.28 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;propyl hypoiodite is sourced from PubChem (CID 178052003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).