5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrimidine

C20H20FN5 — CID 23000436

IUPAC5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrimidine
SMILESCN1CCN(c2ncc(-c3ccc(F)cc3)c(-c3ccncc3)n2)CC1
InChIInChI=1S/C20H20FN5/c1-25-10-12-26(13-11-25)20-23-14-18(15-2-4-17(21)5-3-15)19(24-20)16-6-8-22-9-7-16/h2-9,14H,10-13H2,1H3
InChIKeyNJDAZCYOJRKQTM-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.10
Rot. Bonds3

About 5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrimidine

5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrimidine (PubChem CID 23000436) has the molecular formula C20H20FN5 and a molecular weight of 349.41 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrimidine
PubChem CID23000436
Molecular FormulaC20H20FN5
Molecular Weight349.41 g/mol
Exact Mass349.17
IUPAC Name5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrimidine
SMILESCN1CCN(c2ncc(-c3ccc(F)cc3)c(-c3ccncc3)n2)CC1
InChIInChI=1S/C20H20FN5/c1-25-10-12-26(13-11-25)20-23-14-18(15-2-4-17(21)5-3-15)19(24-20)16-6-8-22-9-7-16/h2-9,14H,10-13H2,1H3
InChIKeyNJDAZCYOJRKQTM-UHFFFAOYSA-N
XLogP3.10
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrimidine?
The IUPAC name of 5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrimidine (CID 23000436) is 5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrimidine.
What is the SMILES notation for 5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrimidine?
The canonical SMILES for 5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrimidine is CN1CCN(c2ncc(-c3ccc(F)cc3)c(-c3ccncc3)n2)CC1.
What is the InChIKey of 5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrimidine?
The InChIKey is NJDAZCYOJRKQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5/c1-25-10-12-26(13-11-25)20-23-14-18(15-2-4-17(21)5-3-15)19(24-20)16-6-8-22-9-7-16/h2-9,14H,10-13H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrimidine?
5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrimidine has a molecular weight of 349.41 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrimidine is sourced from PubChem (CID 23000436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).