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

C14H13BrCl2N4 — CID 79076229

IUPAC5-bromo-2-chloro-4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine
SMILESClc1ccc(N2CCN(c3nc(Cl)ncc3Br)CC2)cc1
InChIInChI=1S/C14H13BrCl2N4/c15-12-9-18-14(17)19-13(12)21-7-5-20(6-8-21)11-3-1-10(16)2-4-11/h1-4,9H,5-8H2
InChIKeyIGPLYXMFRHQIMD-UHFFFAOYSA-N
MW388.10 g/mol
LogP3.87
Rot. Bonds2

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

5-bromo-2-chloro-4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine (PubChem CID 79076229) has the molecular formula C14H13BrCl2N4 and a molecular weight of 388.10 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-bromo-2-chloro-4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine
PubChem CID79076229
Molecular FormulaC14H13BrCl2N4
Molecular Weight388.10 g/mol
Exact Mass385.97
IUPAC Name5-bromo-2-chloro-4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine
SMILESClc1ccc(N2CCN(c3nc(Cl)ncc3Br)CC2)cc1
InChIInChI=1S/C14H13BrCl2N4/c15-12-9-18-14(17)19-13(12)21-7-5-20(6-8-21)11-3-1-10(16)2-4-11/h1-4,9H,5-8H2
InChIKeyIGPLYXMFRHQIMD-UHFFFAOYSA-N
XLogP3.87
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.10
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 5-bromo-2-chloro-4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine (CID 79076229) is 5-bromo-2-chloro-4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-bromo-2-chloro-4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-bromo-2-chloro-4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine is Clc1ccc(N2CCN(c3nc(Cl)ncc3Br)CC2)cc1.
What is the InChIKey of 5-bromo-2-chloro-4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine?
The InChIKey is IGPLYXMFRHQIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrCl2N4/c15-12-9-18-14(17)19-13(12)21-7-5-20(6-8-21)11-3-1-10(16)2-4-11/h1-4,9H,5-8H2.
What are the key properties of 5-bromo-2-chloro-4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine?
5-bromo-2-chloro-4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine has a molecular weight of 388.10 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 79076229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).