3-(2-ethoxyethyl)-5-iodo-1-methylpyrimidine-2,4-dione

C9H13IN2O3 — CID 79784395

IUPAC3-(2-ethoxyethyl)-5-iodo-1-methylpyrimidine-2,4-dione
SMILESCCOCCn1c(=O)c(I)cn(C)c1=O
InChIInChI=1S/C9H13IN2O3/c1-3-15-5-4-12-8(13)7(10)6-11(2)9(12)14/h6H,3-5H2,1-2H3
InChIKeyZXMJYKKIQACEGT-UHFFFAOYSA-N
MW324.12 g/mol
LogP0.19
Rot. Bonds4

About 3-(2-ethoxyethyl)-5-iodo-1-methylpyrimidine-2,4-dione

3-(2-ethoxyethyl)-5-iodo-1-methylpyrimidine-2,4-dione (PubChem CID 79784395) has the molecular formula C9H13IN2O3 and a molecular weight of 324.12 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-5-iodo-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-5-iodo-1-methylpyrimidine-2,4-dione
PubChem CID79784395
Molecular FormulaC9H13IN2O3
Molecular Weight324.12 g/mol
Exact Mass324.00
IUPAC Name3-(2-ethoxyethyl)-5-iodo-1-methylpyrimidine-2,4-dione
SMILESCCOCCn1c(=O)c(I)cn(C)c1=O
InChIInChI=1S/C9H13IN2O3/c1-3-15-5-4-12-8(13)7(10)6-11(2)9(12)14/h6H,3-5H2,1-2H3
InChIKeyZXMJYKKIQACEGT-UHFFFAOYSA-N
XLogP0.19
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.12
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethyl)-5-iodo-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-(2-ethoxyethyl)-5-iodo-1-methylpyrimidine-2,4-dione (CID 79784395) is 3-(2-ethoxyethyl)-5-iodo-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-ethoxyethyl)-5-iodo-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-(2-ethoxyethyl)-5-iodo-1-methylpyrimidine-2,4-dione is CCOCCn1c(=O)c(I)cn(C)c1=O.
What is the InChIKey of 3-(2-ethoxyethyl)-5-iodo-1-methylpyrimidine-2,4-dione?
The InChIKey is ZXMJYKKIQACEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2O3/c1-3-15-5-4-12-8(13)7(10)6-11(2)9(12)14/h6H,3-5H2,1-2H3.
What are the key properties of 3-(2-ethoxyethyl)-5-iodo-1-methylpyrimidine-2,4-dione?
3-(2-ethoxyethyl)-5-iodo-1-methylpyrimidine-2,4-dione has a molecular weight of 324.12 g/mol, XLogP of 0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-5-iodo-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 79784395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).