5-iodo-1-(2-methoxy-2-methylpropyl)pyrimidine-2,4-dione

C9H13IN2O3 — CID 131007523

IUPAC5-iodo-1-(2-methoxy-2-methylpropyl)pyrimidine-2,4-dione
SMILESCOC(C)(C)Cn1cc(I)c(=O)[nH]c1=O
InChIInChI=1S/C9H13IN2O3/c1-9(2,15-3)5-12-4-6(10)7(13)11-8(12)14/h4H,5H2,1-3H3,(H,11,13,14)
InChIKeyXCATWRFEBPCGTE-UHFFFAOYSA-N
MW324.12 g/mol
LogP0.57
Rot. Bonds3

About 5-iodo-1-(2-methoxy-2-methylpropyl)pyrimidine-2,4-dione

5-iodo-1-(2-methoxy-2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 131007523) has the molecular formula C9H13IN2O3 and a molecular weight of 324.12 g/mol. Its IUPAC name is 5-iodo-1-(2-methoxy-2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-iodo-1-(2-methoxy-2-methylpropyl)pyrimidine-2,4-dione
PubChem CID131007523
Molecular FormulaC9H13IN2O3
Molecular Weight324.12 g/mol
Exact Mass324.00
IUPAC Name5-iodo-1-(2-methoxy-2-methylpropyl)pyrimidine-2,4-dione
SMILESCOC(C)(C)Cn1cc(I)c(=O)[nH]c1=O
InChIInChI=1S/C9H13IN2O3/c1-9(2,15-3)5-12-4-6(10)7(13)11-8(12)14/h4H,5H2,1-3H3,(H,11,13,14)
InChIKeyXCATWRFEBPCGTE-UHFFFAOYSA-N
XLogP0.57
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.12
LogP ≤ 50.57
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-1-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione
CID 115519719
5-iodo-1-pentylpyrimidine-2,4-dione
CID 79784699
5-iodo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidine-2,4-dione
CID 113427652
5-iodo-3-(2-methoxy-2-methylpropyl)pyrimidin-4-one
CID 126997651
1-(3,4-dihydroxybutyl)-5-iodopyrimidine-2,4-dione
CID 58979936
5-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
CID 82882692
1-[(5-bromo-2-methoxyphenyl)methyl]-5-iodopyrimidine-2,4-dione
CID 79784796
5-amino-1-(2,2-difluoropropyl)pyrimidine-2,4-dione
CID 165472065
1-(3-methoxy-3-methylbutyl)-5-nitropyrimidine-2,4-dione
CID 103037337
1-(2,2-dimethylbutyl)-2,4-dioxopyrimidine-5-carboxylic acid
CID 103466425
1-(1,3-dihydroxypropoxymethyl)-5-iodopyrimidine-2,4-dione
CID 18458123
1-(2-methoxy-2-methylpropyl)pyrrole-2,5-dione
CID 91352575

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-(2-methoxy-2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 5-iodo-1-(2-methoxy-2-methylpropyl)pyrimidine-2,4-dione (CID 131007523) is 5-iodo-1-(2-methoxy-2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-iodo-1-(2-methoxy-2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-iodo-1-(2-methoxy-2-methylpropyl)pyrimidine-2,4-dione is COC(C)(C)Cn1cc(I)c(=O)[nH]c1=O.
What is the InChIKey of 5-iodo-1-(2-methoxy-2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is XCATWRFEBPCGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2O3/c1-9(2,15-3)5-12-4-6(10)7(13)11-8(12)14/h4H,5H2,1-3H3,(H,11,13,14).
What are the key properties of 5-iodo-1-(2-methoxy-2-methylpropyl)pyrimidine-2,4-dione?
5-iodo-1-(2-methoxy-2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 324.12 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-(2-methoxy-2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 131007523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).