5-[(2-fluorophenyl)methyl]-4-piperidin-1-yl-2-pyridin-2-ylpyrimidine

C21H21FN4 — CID 51040721

IUPAC5-[(2-fluorophenyl)methyl]-4-piperidin-1-yl-2-pyridin-2-ylpyrimidine
SMILESFc1ccccc1Cc1cnc(-c2ccccn2)nc1N1CCCCC1
InChIInChI=1S/C21H21FN4/c22-18-9-3-2-8-16(18)14-17-15-24-20(19-10-4-5-11-23-19)25-21(17)26-12-6-1-7-13-26/h2-5,8-11,15H,1,6-7,12-14H2
InChIKeyBFWDWKGJEXYILS-UHFFFAOYSA-N
MW348.42 g/mol
LogP4.26
Rot. Bonds4

About 5-[(2-fluorophenyl)methyl]-4-piperidin-1-yl-2-pyridin-2-ylpyrimidine

5-[(2-fluorophenyl)methyl]-4-piperidin-1-yl-2-pyridin-2-ylpyrimidine (PubChem CID 51040721) has the molecular formula C21H21FN4 and a molecular weight of 348.42 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-4-piperidin-1-yl-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-4-piperidin-1-yl-2-pyridin-2-ylpyrimidine
PubChem CID51040721
Molecular FormulaC21H21FN4
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name5-[(2-fluorophenyl)methyl]-4-piperidin-1-yl-2-pyridin-2-ylpyrimidine
SMILESFc1ccccc1Cc1cnc(-c2ccccn2)nc1N1CCCCC1
InChIInChI=1S/C21H21FN4/c22-18-9-3-2-8-16(18)14-17-15-24-20(19-10-4-5-11-23-19)25-21(17)26-12-6-1-7-13-26/h2-5,8-11,15H,1,6-7,12-14H2
InChIKeyBFWDWKGJEXYILS-UHFFFAOYSA-N
XLogP4.26
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl]-4-piperidin-1-yl-2-pyridin-2-ylpyrimidine?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-4-piperidin-1-yl-2-pyridin-2-ylpyrimidine (CID 51040721) is 5-[(2-fluorophenyl)methyl]-4-piperidin-1-yl-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-4-piperidin-1-yl-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-4-piperidin-1-yl-2-pyridin-2-ylpyrimidine is Fc1ccccc1Cc1cnc(-c2ccccn2)nc1N1CCCCC1.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-4-piperidin-1-yl-2-pyridin-2-ylpyrimidine?
The InChIKey is BFWDWKGJEXYILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4/c22-18-9-3-2-8-16(18)14-17-15-24-20(19-10-4-5-11-23-19)25-21(17)26-12-6-1-7-13-26/h2-5,8-11,15H,1,6-7,12-14H2.
What are the key properties of 5-[(2-fluorophenyl)methyl]-4-piperidin-1-yl-2-pyridin-2-ylpyrimidine?
5-[(2-fluorophenyl)methyl]-4-piperidin-1-yl-2-pyridin-2-ylpyrimidine has a molecular weight of 348.42 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]-4-piperidin-1-yl-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 51040721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).