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

C15H21BrN6 — CID 59144822

IUPAC5-bromo-2-[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine
SMILESBrc1cnc(N2CCN(CCCCn3cccn3)CC2)nc1
InChIInChI=1S/C15H21BrN6/c16-14-12-17-15(18-13-14)21-10-8-20(9-11-21)5-1-2-6-22-7-3-4-19-22/h3-4,7,12-13H,1-2,5-6,8-11H2
InChIKeyMEAWMKXNZDOKST-UHFFFAOYSA-N
MW365.28 g/mol
LogP2.04
Rot. Bonds6

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

5-bromo-2-[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine (PubChem CID 59144822) has the molecular formula C15H21BrN6 and a molecular weight of 365.28 g/mol. Its IUPAC name is 5-bromo-2-[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-bromo-2-[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine
PubChem CID59144822
Molecular FormulaC15H21BrN6
Molecular Weight365.28 g/mol
Exact Mass364.10
IUPAC Name5-bromo-2-[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine
SMILESBrc1cnc(N2CCN(CCCCn3cccn3)CC2)nc1
InChIInChI=1S/C15H21BrN6/c16-14-12-17-15(18-13-14)21-10-8-20(9-11-21)5-1-2-6-22-7-3-4-19-22/h3-4,7,12-13H,1-2,5-6,8-11H2
InChIKeyMEAWMKXNZDOKST-UHFFFAOYSA-N
XLogP2.04
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 5-bromo-2-[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine (CID 59144822) is 5-bromo-2-[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-bromo-2-[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-bromo-2-[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine is Brc1cnc(N2CCN(CCCCn3cccn3)CC2)nc1.
What is the InChIKey of 5-bromo-2-[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine?
The InChIKey is MEAWMKXNZDOKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN6/c16-14-12-17-15(18-13-14)21-10-8-20(9-11-21)5-1-2-6-22-7-3-4-19-22/h3-4,7,12-13H,1-2,5-6,8-11H2.
What are the key properties of 5-bromo-2-[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine?
5-bromo-2-[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine has a molecular weight of 365.28 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 59144822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).