5-bromo-2-[4-(2-fluoroethyl)piperazin-1-yl]pyrimidine

C10H14BrFN4 — CID 119103506

IUPAC5-bromo-2-[4-(2-fluoroethyl)piperazin-1-yl]pyrimidine
SMILESFCCN1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C10H14BrFN4/c11-9-7-13-10(14-8-9)16-5-3-15(2-1-12)4-6-16/h7-8H,1-6H2
InChIKeyRUOMMTWSCXLXQM-UHFFFAOYSA-N
MW289.15 g/mol
LogP1.33
Rot. Bonds3

About 5-bromo-2-[4-(2-fluoroethyl)piperazin-1-yl]pyrimidine

5-bromo-2-[4-(2-fluoroethyl)piperazin-1-yl]pyrimidine (PubChem CID 119103506) has the molecular formula C10H14BrFN4 and a molecular weight of 289.15 g/mol. Its IUPAC name is 5-bromo-2-[4-(2-fluoroethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-bromo-2-[4-(2-fluoroethyl)piperazin-1-yl]pyrimidine
PubChem CID119103506
Molecular FormulaC10H14BrFN4
Molecular Weight289.15 g/mol
Exact Mass288.04
IUPAC Name5-bromo-2-[4-(2-fluoroethyl)piperazin-1-yl]pyrimidine
SMILESFCCN1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C10H14BrFN4/c11-9-7-13-10(14-8-9)16-5-3-15(2-1-12)4-6-16/h7-8H,1-6H2
InChIKeyRUOMMTWSCXLXQM-UHFFFAOYSA-N
XLogP1.33
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[4-(2-fluoroethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 5-bromo-2-[4-(2-fluoroethyl)piperazin-1-yl]pyrimidine (CID 119103506) is 5-bromo-2-[4-(2-fluoroethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-bromo-2-[4-(2-fluoroethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-bromo-2-[4-(2-fluoroethyl)piperazin-1-yl]pyrimidine is FCCN1CCN(c2ncc(Br)cn2)CC1.
What is the InChIKey of 5-bromo-2-[4-(2-fluoroethyl)piperazin-1-yl]pyrimidine?
The InChIKey is RUOMMTWSCXLXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN4/c11-9-7-13-10(14-8-9)16-5-3-15(2-1-12)4-6-16/h7-8H,1-6H2.
What are the key properties of 5-bromo-2-[4-(2-fluoroethyl)piperazin-1-yl]pyrimidine?
5-bromo-2-[4-(2-fluoroethyl)piperazin-1-yl]pyrimidine has a molecular weight of 289.15 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[4-(2-fluoroethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 119103506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).