4-(4-fluorophenyl)-2-pyridin-4-yl-5-pyrimidin-4-ylpyrimidine

C19H12FN5 — CID 4126107

IUPAC4-(4-fluorophenyl)-2-pyridin-4-yl-5-pyrimidin-4-ylpyrimidine
SMILESFc1ccc(-c2nc(-c3ccncc3)ncc2-c2ccncn2)cc1
InChIInChI=1S/C19H12FN5/c20-15-3-1-13(2-4-15)18-16(17-7-10-22-12-24-17)11-23-19(25-18)14-5-8-21-9-6-14/h1-12H
InChIKeyWXFIWJNDTDZFBE-UHFFFAOYSA-N
MW329.34 g/mol
LogP3.80
Rot. Bonds3

About 4-(4-fluorophenyl)-2-pyridin-4-yl-5-pyrimidin-4-ylpyrimidine

4-(4-fluorophenyl)-2-pyridin-4-yl-5-pyrimidin-4-ylpyrimidine (PubChem CID 4126107) has the molecular formula C19H12FN5 and a molecular weight of 329.34 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-pyridin-4-yl-5-pyrimidin-4-ylpyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-pyridin-4-yl-5-pyrimidin-4-ylpyrimidine
PubChem CID4126107
Molecular FormulaC19H12FN5
Molecular Weight329.34 g/mol
Exact Mass329.11
IUPAC Name4-(4-fluorophenyl)-2-pyridin-4-yl-5-pyrimidin-4-ylpyrimidine
SMILESFc1ccc(-c2nc(-c3ccncc3)ncc2-c2ccncn2)cc1
InChIInChI=1S/C19H12FN5/c20-15-3-1-13(2-4-15)18-16(17-7-10-22-12-24-17)11-23-19(25-18)14-5-8-21-9-6-14/h1-12H
InChIKeyWXFIWJNDTDZFBE-UHFFFAOYSA-N
XLogP3.80
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-pyridin-4-yl-5-pyrimidin-4-ylpyrimidine?
The IUPAC name of 4-(4-fluorophenyl)-2-pyridin-4-yl-5-pyrimidin-4-ylpyrimidine (CID 4126107) is 4-(4-fluorophenyl)-2-pyridin-4-yl-5-pyrimidin-4-ylpyrimidine.
What is the SMILES notation for 4-(4-fluorophenyl)-2-pyridin-4-yl-5-pyrimidin-4-ylpyrimidine?
The canonical SMILES for 4-(4-fluorophenyl)-2-pyridin-4-yl-5-pyrimidin-4-ylpyrimidine is Fc1ccc(-c2nc(-c3ccncc3)ncc2-c2ccncn2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-pyridin-4-yl-5-pyrimidin-4-ylpyrimidine?
The InChIKey is WXFIWJNDTDZFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN5/c20-15-3-1-13(2-4-15)18-16(17-7-10-22-12-24-17)11-23-19(25-18)14-5-8-21-9-6-14/h1-12H.
What are the key properties of 4-(4-fluorophenyl)-2-pyridin-4-yl-5-pyrimidin-4-ylpyrimidine?
4-(4-fluorophenyl)-2-pyridin-4-yl-5-pyrimidin-4-ylpyrimidine has a molecular weight of 329.34 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-pyridin-4-yl-5-pyrimidin-4-ylpyrimidine is sourced from PubChem (CID 4126107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).