5-[(3-fluorophenyl)methyl]-2-piperazin-1-ylpyrimidine

C15H17FN4 — CID 117224214

IUPAC5-[(3-fluorophenyl)methyl]-2-piperazin-1-ylpyrimidine
SMILESFc1cccc(Cc2cnc(N3CCNCC3)nc2)c1
InChIInChI=1S/C15H17FN4/c16-14-3-1-2-12(9-14)8-13-10-18-15(19-11-13)20-6-4-17-5-7-20/h1-3,9-11,17H,4-8H2
InChIKeyBCWLZWZJWUJVGJ-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.62
Rot. Bonds3

About 5-[(3-fluorophenyl)methyl]-2-piperazin-1-ylpyrimidine

5-[(3-fluorophenyl)methyl]-2-piperazin-1-ylpyrimidine (PubChem CID 117224214) has the molecular formula C15H17FN4 and a molecular weight of 272.33 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-2-piperazin-1-ylpyrimidine
PubChem CID117224214
Molecular FormulaC15H17FN4
Molecular Weight272.33 g/mol
Exact Mass272.14
IUPAC Name5-[(3-fluorophenyl)methyl]-2-piperazin-1-ylpyrimidine
SMILESFc1cccc(Cc2cnc(N3CCNCC3)nc2)c1
InChIInChI=1S/C15H17FN4/c16-14-3-1-2-12(9-14)8-13-10-18-15(19-11-13)20-6-4-17-5-7-20/h1-3,9-11,17H,4-8H2
InChIKeyBCWLZWZJWUJVGJ-UHFFFAOYSA-N
XLogP1.62
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-2-piperazin-1-ylpyrimidine?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-2-piperazin-1-ylpyrimidine (CID 117224214) is 5-[(3-fluorophenyl)methyl]-2-piperazin-1-ylpyrimidine.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-2-piperazin-1-ylpyrimidine?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-2-piperazin-1-ylpyrimidine is Fc1cccc(Cc2cnc(N3CCNCC3)nc2)c1.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-2-piperazin-1-ylpyrimidine?
The InChIKey is BCWLZWZJWUJVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4/c16-14-3-1-2-12(9-14)8-13-10-18-15(19-11-13)20-6-4-17-5-7-20/h1-3,9-11,17H,4-8H2.
What are the key properties of 5-[(3-fluorophenyl)methyl]-2-piperazin-1-ylpyrimidine?
5-[(3-fluorophenyl)methyl]-2-piperazin-1-ylpyrimidine has a molecular weight of 272.33 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 117224214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).