5-fluoro-2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine

C14H15FN4S — CID 141414246

IUPAC5-fluoro-2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine
SMILESFc1cnc(Sc2ccc(N3CCNCC3)cc2)nc1
InChIInChI=1S/C14H15FN4S/c15-11-9-17-14(18-10-11)20-13-3-1-12(2-4-13)19-7-5-16-6-8-19/h1-4,9-10,16H,5-8H2
InChIKeyMAAOGDSLNKRXJD-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.18
Rot. Bonds3

About 5-fluoro-2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine

5-fluoro-2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine (PubChem CID 141414246) has the molecular formula C14H15FN4S and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-fluoro-2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine.

Molecular Properties

Compound Name5-fluoro-2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine
PubChem CID141414246
Molecular FormulaC14H15FN4S
Molecular Weight290.37 g/mol
Exact Mass290.10
IUPAC Name5-fluoro-2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine
SMILESFc1cnc(Sc2ccc(N3CCNCC3)cc2)nc1
InChIInChI=1S/C14H15FN4S/c15-11-9-17-14(18-10-11)20-13-3-1-12(2-4-13)19-7-5-16-6-8-19/h1-4,9-10,16H,5-8H2
InChIKeyMAAOGDSLNKRXJD-UHFFFAOYSA-N
XLogP2.18
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine 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-2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine?
The IUPAC name of 5-fluoro-2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine (CID 141414246) is 5-fluoro-2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine.
What is the SMILES notation for 5-fluoro-2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine?
The canonical SMILES for 5-fluoro-2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine is Fc1cnc(Sc2ccc(N3CCNCC3)cc2)nc1.
What is the InChIKey of 5-fluoro-2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine?
The InChIKey is MAAOGDSLNKRXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4S/c15-11-9-17-14(18-10-11)20-13-3-1-12(2-4-13)19-7-5-16-6-8-19/h1-4,9-10,16H,5-8H2.
What are the key properties of 5-fluoro-2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine?
5-fluoro-2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine has a molecular weight of 290.37 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine is sourced from PubChem (CID 141414246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).