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

C20H19FN4 — CID 56766882

IUPAC2-(2-fluorophenyl)-4-phenyl-6-piperazin-1-ylpyrimidine
SMILESFc1ccccc1-c1nc(-c2ccccc2)cc(N2CCNCC2)n1
InChIInChI=1S/C20H19FN4/c21-17-9-5-4-8-16(17)20-23-18(15-6-2-1-3-7-15)14-19(24-20)25-12-10-22-11-13-25/h1-9,14,22H,10-13H2
InChIKeyPIOHCARTQZZREY-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.36
Rot. Bonds3

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

2-(2-fluorophenyl)-4-phenyl-6-piperazin-1-ylpyrimidine (PubChem CID 56766882) has the molecular formula C20H19FN4 and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-phenyl-6-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-phenyl-6-piperazin-1-ylpyrimidine
PubChem CID56766882
Molecular FormulaC20H19FN4
Molecular Weight334.40 g/mol
Exact Mass334.16
IUPAC Name2-(2-fluorophenyl)-4-phenyl-6-piperazin-1-ylpyrimidine
SMILESFc1ccccc1-c1nc(-c2ccccc2)cc(N2CCNCC2)n1
InChIInChI=1S/C20H19FN4/c21-17-9-5-4-8-16(17)20-23-18(15-6-2-1-3-7-15)14-19(24-20)25-12-10-22-11-13-25/h1-9,14,22H,10-13H2
InChIKeyPIOHCARTQZZREY-UHFFFAOYSA-N
XLogP3.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-phenyl-6-piperazin-1-ylpyrimidine?
The IUPAC name of 2-(2-fluorophenyl)-4-phenyl-6-piperazin-1-ylpyrimidine (CID 56766882) is 2-(2-fluorophenyl)-4-phenyl-6-piperazin-1-ylpyrimidine.
What is the SMILES notation for 2-(2-fluorophenyl)-4-phenyl-6-piperazin-1-ylpyrimidine?
The canonical SMILES for 2-(2-fluorophenyl)-4-phenyl-6-piperazin-1-ylpyrimidine is Fc1ccccc1-c1nc(-c2ccccc2)cc(N2CCNCC2)n1.
What is the InChIKey of 2-(2-fluorophenyl)-4-phenyl-6-piperazin-1-ylpyrimidine?
The InChIKey is PIOHCARTQZZREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4/c21-17-9-5-4-8-16(17)20-23-18(15-6-2-1-3-7-15)14-19(24-20)25-12-10-22-11-13-25/h1-9,14,22H,10-13H2.
What are the key properties of 2-(2-fluorophenyl)-4-phenyl-6-piperazin-1-ylpyrimidine?
2-(2-fluorophenyl)-4-phenyl-6-piperazin-1-ylpyrimidine has a molecular weight of 334.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-phenyl-6-piperazin-1-ylpyrimidine is sourced from PubChem (CID 56766882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).