5-bromo-2-piperidin-1-ylpyrimidine

C9H12BrN3 — CID 3614682

IUPAC5-bromo-2-piperidin-1-ylpyrimidine
SMILESBrc1cnc(N2CCCCC2)nc1
InChIInChI=1S/C9H12BrN3/c10-8-6-11-9(12-7-8)13-4-2-1-3-5-13/h6-7H,1-5H2
InChIKeyOSEFZQJCFCWHKB-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.23
Rot. Bonds1

About 5-bromo-2-piperidin-1-ylpyrimidine

5-bromo-2-piperidin-1-ylpyrimidine (PubChem CID 3614682) has the molecular formula C9H12BrN3 and a molecular weight of 242.12 g/mol. Its IUPAC name is 5-bromo-2-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name5-bromo-2-piperidin-1-ylpyrimidine
PubChem CID3614682
Molecular FormulaC9H12BrN3
Molecular Weight242.12 g/mol
Exact Mass241.02
IUPAC Name5-bromo-2-piperidin-1-ylpyrimidine
SMILESBrc1cnc(N2CCCCC2)nc1
InChIInChI=1S/C9H12BrN3/c10-8-6-11-9(12-7-8)13-4-2-1-3-5-13/h6-7H,1-5H2
InChIKeyOSEFZQJCFCWHKB-UHFFFAOYSA-N
XLogP2.23
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-piperidin-1-ylpyrimidine?
The IUPAC name of 5-bromo-2-piperidin-1-ylpyrimidine (CID 3614682) is 5-bromo-2-piperidin-1-ylpyrimidine.
What is the SMILES notation for 5-bromo-2-piperidin-1-ylpyrimidine?
The canonical SMILES for 5-bromo-2-piperidin-1-ylpyrimidine is Brc1cnc(N2CCCCC2)nc1.
What is the InChIKey of 5-bromo-2-piperidin-1-ylpyrimidine?
The InChIKey is OSEFZQJCFCWHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3/c10-8-6-11-9(12-7-8)13-4-2-1-3-5-13/h6-7H,1-5H2.
What are the key properties of 5-bromo-2-piperidin-1-ylpyrimidine?
5-bromo-2-piperidin-1-ylpyrimidine has a molecular weight of 242.12 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-piperidin-1-ylpyrimidine is sourced from PubChem (CID 3614682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).