4-(2-fluoro-3-pyridinyl)-2-hexylsulfonylpyrimidine

C15H18FN3O2S — CID 150245141

IUPAC4-(2-fluoro-3-pyridinyl)-2-hexylsulfonylpyrimidine
SMILESCCCCCCS(=O)(=O)c1nccc(-c2cccnc2F)n1
InChIInChI=1S/C15H18FN3O2S/c1-2-3-4-5-11-22(20,21)15-18-10-8-13(19-15)12-7-6-9-17-14(12)16/h6-10H,2-5,11H2,1H3
InChIKeyFYIUVKCLIWUOHC-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.03
Rot. Bonds7

About 4-(2-fluoro-3-pyridinyl)-2-hexylsulfonylpyrimidine

4-(2-fluoro-3-pyridinyl)-2-hexylsulfonylpyrimidine (PubChem CID 150245141) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is 4-(2-fluoro-3-pyridinyl)-2-hexylsulfonylpyrimidine.

Molecular Properties

Compound Name4-(2-fluoro-3-pyridinyl)-2-hexylsulfonylpyrimidine
PubChem CID150245141
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC Name4-(2-fluoro-3-pyridinyl)-2-hexylsulfonylpyrimidine
SMILESCCCCCCS(=O)(=O)c1nccc(-c2cccnc2F)n1
InChIInChI=1S/C15H18FN3O2S/c1-2-3-4-5-11-22(20,21)15-18-10-8-13(19-15)12-7-6-9-17-14(12)16/h6-10H,2-5,11H2,1H3
InChIKeyFYIUVKCLIWUOHC-UHFFFAOYSA-N
XLogP3.03
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(2-fluoro-3-pyridinyl)-2-hexylsulfonylpyrimidine 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 4-(2-fluoro-3-pyridinyl)-2-hexylsulfonylpyrimidine?
The IUPAC name of 4-(2-fluoro-3-pyridinyl)-2-hexylsulfonylpyrimidine (CID 150245141) is 4-(2-fluoro-3-pyridinyl)-2-hexylsulfonylpyrimidine.
What is the SMILES notation for 4-(2-fluoro-3-pyridinyl)-2-hexylsulfonylpyrimidine?
The canonical SMILES for 4-(2-fluoro-3-pyridinyl)-2-hexylsulfonylpyrimidine is CCCCCCS(=O)(=O)c1nccc(-c2cccnc2F)n1.
What is the InChIKey of 4-(2-fluoro-3-pyridinyl)-2-hexylsulfonylpyrimidine?
The InChIKey is FYIUVKCLIWUOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-2-3-4-5-11-22(20,21)15-18-10-8-13(19-15)12-7-6-9-17-14(12)16/h6-10H,2-5,11H2,1H3.
What are the key properties of 4-(2-fluoro-3-pyridinyl)-2-hexylsulfonylpyrimidine?
4-(2-fluoro-3-pyridinyl)-2-hexylsulfonylpyrimidine has a molecular weight of 323.39 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-pyridinyl)-2-hexylsulfonylpyrimidine is sourced from PubChem (CID 150245141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).