5-[fluoro(iodo)methoxy]-2-hexan-3-ylpyrimidine

C11H16FIN2O — CID 170391401

IUPAC5-[fluoro(iodo)methoxy]-2-hexan-3-ylpyrimidine
SMILESCCCC(CC)c1ncc(OC(F)I)cn1
InChIInChI=1S/C11H16FIN2O/c1-3-5-8(4-2)10-14-6-9(7-15-10)16-11(12)13/h6-8,11H,3-5H2,1-2H3
InChIKeyUXNDPRULMFVXJH-UHFFFAOYSA-N
MW338.16 g/mol
LogP3.84
Rot. Bonds6

About 5-[fluoro(iodo)methoxy]-2-hexan-3-ylpyrimidine

5-[fluoro(iodo)methoxy]-2-hexan-3-ylpyrimidine (PubChem CID 170391401) has the molecular formula C11H16FIN2O and a molecular weight of 338.16 g/mol. Its IUPAC name is 5-[fluoro(iodo)methoxy]-2-hexan-3-ylpyrimidine.

Molecular Properties

Compound Name5-[fluoro(iodo)methoxy]-2-hexan-3-ylpyrimidine
PubChem CID170391401
Molecular FormulaC11H16FIN2O
Molecular Weight338.16 g/mol
Exact Mass338.03
IUPAC Name5-[fluoro(iodo)methoxy]-2-hexan-3-ylpyrimidine
SMILESCCCC(CC)c1ncc(OC(F)I)cn1
InChIInChI=1S/C11H16FIN2O/c1-3-5-8(4-2)10-14-6-9(7-15-10)16-11(12)13/h6-8,11H,3-5H2,1-2H3
InChIKeyUXNDPRULMFVXJH-UHFFFAOYSA-N
XLogP3.84
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[fluoro(iodo)methoxy]-2-hexan-3-ylpyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[fluoro(iodo)methoxy]-2-hexan-3-ylpyrimidine?
The IUPAC name of 5-[fluoro(iodo)methoxy]-2-hexan-3-ylpyrimidine (CID 170391401) is 5-[fluoro(iodo)methoxy]-2-hexan-3-ylpyrimidine.
What is the SMILES notation for 5-[fluoro(iodo)methoxy]-2-hexan-3-ylpyrimidine?
The canonical SMILES for 5-[fluoro(iodo)methoxy]-2-hexan-3-ylpyrimidine is CCCC(CC)c1ncc(OC(F)I)cn1.
What is the InChIKey of 5-[fluoro(iodo)methoxy]-2-hexan-3-ylpyrimidine?
The InChIKey is UXNDPRULMFVXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FIN2O/c1-3-5-8(4-2)10-14-6-9(7-15-10)16-11(12)13/h6-8,11H,3-5H2,1-2H3.
What are the key properties of 5-[fluoro(iodo)methoxy]-2-hexan-3-ylpyrimidine?
5-[fluoro(iodo)methoxy]-2-hexan-3-ylpyrimidine has a molecular weight of 338.16 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[fluoro(iodo)methoxy]-2-hexan-3-ylpyrimidine is sourced from PubChem (CID 170391401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).