5-iodo-1-(5-methyloxolan-2-yl)pyrimidine-2,4-dione

C9H11IN2O3 — CID 68663052

IUPAC5-iodo-1-(5-methyloxolan-2-yl)pyrimidine-2,4-dione
SMILESCC1CCC(n2cc(I)c(=O)[nH]c2=O)O1
InChIInChI=1S/C9H11IN2O3/c1-5-2-3-7(15-5)12-4-6(10)8(13)11-9(12)14/h4-5,7H,2-3H2,1H3,(H,11,13,14)
InChIKeyNNDUXVHXAZGIOY-UHFFFAOYSA-N
MW322.10 g/mol
LogP0.84
Rot. Bonds1

About 5-iodo-1-(5-methyloxolan-2-yl)pyrimidine-2,4-dione

5-iodo-1-(5-methyloxolan-2-yl)pyrimidine-2,4-dione (PubChem CID 68663052) has the molecular formula C9H11IN2O3 and a molecular weight of 322.10 g/mol. Its IUPAC name is 5-iodo-1-(5-methyloxolan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-iodo-1-(5-methyloxolan-2-yl)pyrimidine-2,4-dione
PubChem CID68663052
Molecular FormulaC9H11IN2O3
Molecular Weight322.10 g/mol
Exact Mass321.98
IUPAC Name5-iodo-1-(5-methyloxolan-2-yl)pyrimidine-2,4-dione
SMILESCC1CCC(n2cc(I)c(=O)[nH]c2=O)O1
InChIInChI=1S/C9H11IN2O3/c1-5-2-3-7(15-5)12-4-6(10)8(13)11-9(12)14/h4-5,7H,2-3H2,1H3,(H,11,13,14)
InChIKeyNNDUXVHXAZGIOY-UHFFFAOYSA-N
XLogP0.84
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.10
LogP ≤ 50.84
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

1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 22895138
diphosphono hydrogen phosphate;5-methyl-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 22823627
1-(5-methyloxolan-2-yl)-4-sulfanylidenepyrimidin-2-one
CID 153342147
5-(6-hydroxyhex-1-ynyl)-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70953114
1-[(2R,4S,5S)-4-hydroxy-5-(iodomethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 67785008
1-[(2S,5S)-5-methyloxolan-2-yl]-5-(2-nitrophenyl)selanylpyrimidine-2,4-dione
CID 88611292
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;5-methyl-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70261386
1-[(2R,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 70996457
5-iodo-1-[(2R,4S,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70875165
5-iodo-1-[4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 20613084
1-[(2R,4S,5R)-5-(azidomethyl)-4-hydroxyoxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 3007133
1-[5-(deuteriooxymethyl)-4-hydroxyoxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 118403474

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-(5-methyloxolan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 5-iodo-1-(5-methyloxolan-2-yl)pyrimidine-2,4-dione (CID 68663052) is 5-iodo-1-(5-methyloxolan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-iodo-1-(5-methyloxolan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 5-iodo-1-(5-methyloxolan-2-yl)pyrimidine-2,4-dione is CC1CCC(n2cc(I)c(=O)[nH]c2=O)O1.
What is the InChIKey of 5-iodo-1-(5-methyloxolan-2-yl)pyrimidine-2,4-dione?
The InChIKey is NNDUXVHXAZGIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O3/c1-5-2-3-7(15-5)12-4-6(10)8(13)11-9(12)14/h4-5,7H,2-3H2,1H3,(H,11,13,14).
What are the key properties of 5-iodo-1-(5-methyloxolan-2-yl)pyrimidine-2,4-dione?
5-iodo-1-(5-methyloxolan-2-yl)pyrimidine-2,4-dione has a molecular weight of 322.10 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-(5-methyloxolan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 68663052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).