4-(4-fluorophenyl)-6-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidine

C22H16FN3O — CID 5297693

IUPAC4-(4-fluorophenyl)-6-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidine
SMILESCOc1ccc(-c2cc(-c3ccc(F)cc3)nc(-c3ccncc3)n2)cc1
InChIInChI=1S/C22H16FN3O/c1-27-19-8-4-16(5-9-19)21-14-20(15-2-6-18(23)7-3-15)25-22(26-21)17-10-12-24-13-11-17/h2-14H,1H3
InChIKeyXMYBXXZZWYMRGF-UHFFFAOYSA-N
MW357.39 g/mol
LogP5.02
Rot. Bonds4

About 4-(4-fluorophenyl)-6-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidine

4-(4-fluorophenyl)-6-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidine (PubChem CID 5297693) has the molecular formula C22H16FN3O and a molecular weight of 357.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidine
PubChem CID5297693
Molecular FormulaC22H16FN3O
Molecular Weight357.39 g/mol
Exact Mass357.13
IUPAC Name4-(4-fluorophenyl)-6-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidine
SMILESCOc1ccc(-c2cc(-c3ccc(F)cc3)nc(-c3ccncc3)n2)cc1
InChIInChI=1S/C22H16FN3O/c1-27-19-8-4-16(5-9-19)21-14-20(15-2-6-18(23)7-3-15)25-22(26-21)17-10-12-24-13-11-17/h2-14H,1H3
InChIKeyXMYBXXZZWYMRGF-UHFFFAOYSA-N
XLogP5.02
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.39
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidine?
The IUPAC name of 4-(4-fluorophenyl)-6-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidine (CID 5297693) is 4-(4-fluorophenyl)-6-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-(4-fluorophenyl)-6-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-(4-fluorophenyl)-6-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidine is COc1ccc(-c2cc(-c3ccc(F)cc3)nc(-c3ccncc3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-6-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidine?
The InChIKey is XMYBXXZZWYMRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O/c1-27-19-8-4-16(5-9-19)21-14-20(15-2-6-18(23)7-3-15)25-22(26-21)17-10-12-24-13-11-17/h2-14H,1H3.
What are the key properties of 4-(4-fluorophenyl)-6-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidine?
4-(4-fluorophenyl)-6-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidine has a molecular weight of 357.39 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 5297693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).