5-(4-fluorophenyl)sulfanyl-2-piperazin-1-ylpyrimidine

C14H15FN4S — CID 170986344

IUPAC5-(4-fluorophenyl)sulfanyl-2-piperazin-1-ylpyrimidine
SMILESFc1ccc(Sc2cnc(N3CCNCC3)nc2)cc1
InChIInChI=1S/C14H15FN4S/c15-11-1-3-12(4-2-11)20-13-9-17-14(18-10-13)19-7-5-16-6-8-19/h1-4,9-10,16H,5-8H2
InChIKeyPCBQVDDFUJZWHZ-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.18
Rot. Bonds3

About 5-(4-fluorophenyl)sulfanyl-2-piperazin-1-ylpyrimidine

5-(4-fluorophenyl)sulfanyl-2-piperazin-1-ylpyrimidine (PubChem CID 170986344) has the molecular formula C14H15FN4S and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-(4-fluorophenyl)sulfanyl-2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name5-(4-fluorophenyl)sulfanyl-2-piperazin-1-ylpyrimidine
PubChem CID170986344
Molecular FormulaC14H15FN4S
Molecular Weight290.37 g/mol
Exact Mass290.10
IUPAC Name5-(4-fluorophenyl)sulfanyl-2-piperazin-1-ylpyrimidine
SMILESFc1ccc(Sc2cnc(N3CCNCC3)nc2)cc1
InChIInChI=1S/C14H15FN4S/c15-11-1-3-12(4-2-11)20-13-9-17-14(18-10-13)19-7-5-16-6-8-19/h1-4,9-10,16H,5-8H2
InChIKeyPCBQVDDFUJZWHZ-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-(4-fluorophenyl)sulfanyl-2-piperazin-1-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-(4-fluorophenyl)sulfanyl-2-piperazin-1-ylpyrimidine?
The IUPAC name of 5-(4-fluorophenyl)sulfanyl-2-piperazin-1-ylpyrimidine (CID 170986344) is 5-(4-fluorophenyl)sulfanyl-2-piperazin-1-ylpyrimidine.
What is the SMILES notation for 5-(4-fluorophenyl)sulfanyl-2-piperazin-1-ylpyrimidine?
The canonical SMILES for 5-(4-fluorophenyl)sulfanyl-2-piperazin-1-ylpyrimidine is Fc1ccc(Sc2cnc(N3CCNCC3)nc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)sulfanyl-2-piperazin-1-ylpyrimidine?
The InChIKey is PCBQVDDFUJZWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4S/c15-11-1-3-12(4-2-11)20-13-9-17-14(18-10-13)19-7-5-16-6-8-19/h1-4,9-10,16H,5-8H2.
What are the key properties of 5-(4-fluorophenyl)sulfanyl-2-piperazin-1-ylpyrimidine?
5-(4-fluorophenyl)sulfanyl-2-piperazin-1-ylpyrimidine 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-(4-fluorophenyl)sulfanyl-2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 170986344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).