4-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylpyrimidine

C15H17FN4 — CID 96668438

IUPAC4-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylpyrimidine
SMILESCc1cc(-c2ccnc(N3CCNCC3)n2)ccc1F
InChIInChI=1S/C15H17FN4/c1-11-10-12(2-3-13(11)16)14-4-5-18-15(19-14)20-8-6-17-7-9-20/h2-5,10,17H,6-9H2,1H3
InChIKeyHMTKMZAEQSNICY-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.00
Rot. Bonds2

About 4-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylpyrimidine

4-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylpyrimidine (PubChem CID 96668438) has the molecular formula C15H17FN4 and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylpyrimidine
PubChem CID96668438
Molecular FormulaC15H17FN4
Molecular Weight272.33 g/mol
Exact Mass272.14
IUPAC Name4-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylpyrimidine
SMILESCc1cc(-c2ccnc(N3CCNCC3)n2)ccc1F
InChIInChI=1S/C15H17FN4/c1-11-10-12(2-3-13(11)16)14-4-5-18-15(19-14)20-8-6-17-7-9-20/h2-5,10,17H,6-9H2,1H3
InChIKeyHMTKMZAEQSNICY-UHFFFAOYSA-N
XLogP2.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-fluoro-3-methylphenyl)-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 4-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylpyrimidine?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylpyrimidine (CID 96668438) is 4-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylpyrimidine is Cc1cc(-c2ccnc(N3CCNCC3)n2)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylpyrimidine?
The InChIKey is HMTKMZAEQSNICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4/c1-11-10-12(2-3-13(11)16)14-4-5-18-15(19-14)20-8-6-17-7-9-20/h2-5,10,17H,6-9H2,1H3.
What are the key properties of 4-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylpyrimidine?
4-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylpyrimidine has a molecular weight of 272.33 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 96668438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).