3-(2-fluoroethyl)-5-iodo-1-propylpyrimidine-2,4-dione

C9H12FIN2O2 — CID 80696921

IUPAC3-(2-fluoroethyl)-5-iodo-1-propylpyrimidine-2,4-dione
SMILESCCCn1cc(I)c(=O)n(CCF)c1=O
InChIInChI=1S/C9H12FIN2O2/c1-2-4-12-6-7(11)8(14)13(5-3-10)9(12)15/h6H,2-5H2,1H3
InChIKeyFNAYZOTUUAVXIZ-UHFFFAOYSA-N
MW326.11 g/mol
LogP0.99
Rot. Bonds4

About 3-(2-fluoroethyl)-5-iodo-1-propylpyrimidine-2,4-dione

3-(2-fluoroethyl)-5-iodo-1-propylpyrimidine-2,4-dione (PubChem CID 80696921) has the molecular formula C9H12FIN2O2 and a molecular weight of 326.11 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-5-iodo-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-fluoroethyl)-5-iodo-1-propylpyrimidine-2,4-dione
PubChem CID80696921
Molecular FormulaC9H12FIN2O2
Molecular Weight326.11 g/mol
Exact Mass325.99
IUPAC Name3-(2-fluoroethyl)-5-iodo-1-propylpyrimidine-2,4-dione
SMILESCCCn1cc(I)c(=O)n(CCF)c1=O
InChIInChI=1S/C9H12FIN2O2/c1-2-4-12-6-7(11)8(14)13(5-3-10)9(12)15/h6H,2-5H2,1H3
InChIKeyFNAYZOTUUAVXIZ-UHFFFAOYSA-N
XLogP0.99
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)-5-iodo-1-propylpyrimidine-2,4-dione?
The IUPAC name of 3-(2-fluoroethyl)-5-iodo-1-propylpyrimidine-2,4-dione (CID 80696921) is 3-(2-fluoroethyl)-5-iodo-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-fluoroethyl)-5-iodo-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 3-(2-fluoroethyl)-5-iodo-1-propylpyrimidine-2,4-dione is CCCn1cc(I)c(=O)n(CCF)c1=O.
What is the InChIKey of 3-(2-fluoroethyl)-5-iodo-1-propylpyrimidine-2,4-dione?
The InChIKey is FNAYZOTUUAVXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FIN2O2/c1-2-4-12-6-7(11)8(14)13(5-3-10)9(12)15/h6H,2-5H2,1H3.
What are the key properties of 3-(2-fluoroethyl)-5-iodo-1-propylpyrimidine-2,4-dione?
3-(2-fluoroethyl)-5-iodo-1-propylpyrimidine-2,4-dione has a molecular weight of 326.11 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)-5-iodo-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 80696921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).