2-[4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine

C20H20FN5 — CID 15840855

IUPAC2-[4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine
SMILESFc1ccc(-c2cncc(CN3CCN(c4ncccn4)CC3)c2)cc1
InChIInChI=1S/C20H20FN5/c21-19-4-2-17(3-5-19)18-12-16(13-22-14-18)15-25-8-10-26(11-9-25)20-23-6-1-7-24-20/h1-7,12-14H,8-11,15H2
InChIKeyCQTUBBGJACSDPZ-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.00
Rot. Bonds4

About 2-[4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine

2-[4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine (PubChem CID 15840855) has the molecular formula C20H20FN5 and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-[4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine
PubChem CID15840855
Molecular FormulaC20H20FN5
Molecular Weight349.41 g/mol
Exact Mass349.17
IUPAC Name2-[4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine
SMILESFc1ccc(-c2cncc(CN3CCN(c4ncccn4)CC3)c2)cc1
InChIInChI=1S/C20H20FN5/c21-19-4-2-17(3-5-19)18-12-16(13-22-14-18)15-25-8-10-26(11-9-25)20-23-6-1-7-24-20/h1-7,12-14H,8-11,15H2
InChIKeyCQTUBBGJACSDPZ-UHFFFAOYSA-N
XLogP3.00
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine 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 2-[4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine (CID 15840855) is 2-[4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine is Fc1ccc(-c2cncc(CN3CCN(c4ncccn4)CC3)c2)cc1.
What is the InChIKey of 2-[4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine?
The InChIKey is CQTUBBGJACSDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5/c21-19-4-2-17(3-5-19)18-12-16(13-22-14-18)15-25-8-10-26(11-9-25)20-23-6-1-7-24-20/h1-7,12-14H,8-11,15H2.
What are the key properties of 2-[4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine?
2-[4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine has a molecular weight of 349.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 15840855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).