5-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine

C14H14BrFN4 — CID 66342373

IUPAC5-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine
SMILESFc1ccc(N2CCN(c3ncncc3Br)CC2)cc1
InChIInChI=1S/C14H14BrFN4/c15-13-9-17-10-18-14(13)20-7-5-19(6-8-20)12-3-1-11(16)2-4-12/h1-4,9-10H,5-8H2
InChIKeyGZVWHUJMLCUJSE-UHFFFAOYSA-N
MW337.20 g/mol
LogP2.70
Rot. Bonds2

About 5-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine

5-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine (PubChem CID 66342373) has the molecular formula C14H14BrFN4 and a molecular weight of 337.20 g/mol. Its IUPAC name is 5-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine
PubChem CID66342373
Molecular FormulaC14H14BrFN4
Molecular Weight337.20 g/mol
Exact Mass336.04
IUPAC Name5-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine
SMILESFc1ccc(N2CCN(c3ncncc3Br)CC2)cc1
InChIInChI=1S/C14H14BrFN4/c15-13-9-17-10-18-14(13)20-7-5-19(6-8-20)12-3-1-11(16)2-4-12/h1-4,9-10H,5-8H2
InChIKeyGZVWHUJMLCUJSE-UHFFFAOYSA-N
XLogP2.70
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 5-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine (CID 66342373) is 5-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine is Fc1ccc(N2CCN(c3ncncc3Br)CC2)cc1.
What is the InChIKey of 5-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine?
The InChIKey is GZVWHUJMLCUJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN4/c15-13-9-17-10-18-14(13)20-7-5-19(6-8-20)12-3-1-11(16)2-4-12/h1-4,9-10H,5-8H2.
What are the key properties of 5-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine?
5-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine has a molecular weight of 337.20 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 66342373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).