4-(4-fluorophenyl)-6-methyl-2-piperazin-1-ylpyrimidine

C15H17FN4 — CID 95430396

IUPAC4-(4-fluorophenyl)-6-methyl-2-piperazin-1-ylpyrimidine
SMILESCc1cc(-c2ccc(F)cc2)nc(N2CCNCC2)n1
InChIInChI=1S/C15H17FN4/c1-11-10-14(12-2-4-13(16)5-3-12)19-15(18-11)20-8-6-17-7-9-20/h2-5,10,17H,6-9H2,1H3
InChIKeyLDQVOEKFMGQKJT-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.00
Rot. Bonds2

About 4-(4-fluorophenyl)-6-methyl-2-piperazin-1-ylpyrimidine

4-(4-fluorophenyl)-6-methyl-2-piperazin-1-ylpyrimidine (PubChem CID 95430396) has the molecular formula C15H17FN4 and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-methyl-2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-methyl-2-piperazin-1-ylpyrimidine
PubChem CID95430396
Molecular FormulaC15H17FN4
Molecular Weight272.33 g/mol
Exact Mass272.14
IUPAC Name4-(4-fluorophenyl)-6-methyl-2-piperazin-1-ylpyrimidine
SMILESCc1cc(-c2ccc(F)cc2)nc(N2CCNCC2)n1
InChIInChI=1S/C15H17FN4/c1-11-10-14(12-2-4-13(16)5-3-12)19-15(18-11)20-8-6-17-7-9-20/h2-5,10,17H,6-9H2,1H3
InChIKeyLDQVOEKFMGQKJT-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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-methyl-2-piperazin-1-ylpyrimidine?
The IUPAC name of 4-(4-fluorophenyl)-6-methyl-2-piperazin-1-ylpyrimidine (CID 95430396) is 4-(4-fluorophenyl)-6-methyl-2-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-(4-fluorophenyl)-6-methyl-2-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-(4-fluorophenyl)-6-methyl-2-piperazin-1-ylpyrimidine is Cc1cc(-c2ccc(F)cc2)nc(N2CCNCC2)n1.
What is the InChIKey of 4-(4-fluorophenyl)-6-methyl-2-piperazin-1-ylpyrimidine?
The InChIKey is LDQVOEKFMGQKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4/c1-11-10-14(12-2-4-13(16)5-3-12)19-15(18-11)20-8-6-17-7-9-20/h2-5,10,17H,6-9H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-6-methyl-2-piperazin-1-ylpyrimidine?
4-(4-fluorophenyl)-6-methyl-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-fluorophenyl)-6-methyl-2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 95430396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).