5-bromo-4-piperidin-1-yl-2-pyrrolidin-1-ylpyrimidine

C13H19BrN4 — CID 5309652

IUPAC5-bromo-4-piperidin-1-yl-2-pyrrolidin-1-ylpyrimidine
SMILESBrc1cnc(N2CCCC2)nc1N1CCCCC1
InChIInChI=1S/C13H19BrN4/c14-11-10-15-13(18-8-4-5-9-18)16-12(11)17-6-2-1-3-7-17/h10H,1-9H2
InChIKeyAJQADDUNOLZAGX-UHFFFAOYSA-N
MW311.23 g/mol
LogP2.83
Rot. Bonds2

About 5-bromo-4-piperidin-1-yl-2-pyrrolidin-1-ylpyrimidine

5-bromo-4-piperidin-1-yl-2-pyrrolidin-1-ylpyrimidine (PubChem CID 5309652) has the molecular formula C13H19BrN4 and a molecular weight of 311.23 g/mol. Its IUPAC name is 5-bromo-4-piperidin-1-yl-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-piperidin-1-yl-2-pyrrolidin-1-ylpyrimidine
PubChem CID5309652
Molecular FormulaC13H19BrN4
Molecular Weight311.23 g/mol
Exact Mass310.08
IUPAC Name5-bromo-4-piperidin-1-yl-2-pyrrolidin-1-ylpyrimidine
SMILESBrc1cnc(N2CCCC2)nc1N1CCCCC1
InChIInChI=1S/C13H19BrN4/c14-11-10-15-13(18-8-4-5-9-18)16-12(11)17-6-2-1-3-7-17/h10H,1-9H2
InChIKeyAJQADDUNOLZAGX-UHFFFAOYSA-N
XLogP2.83
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-piperidin-1-yl-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 5-bromo-4-piperidin-1-yl-2-pyrrolidin-1-ylpyrimidine (CID 5309652) is 5-bromo-4-piperidin-1-yl-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 5-bromo-4-piperidin-1-yl-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 5-bromo-4-piperidin-1-yl-2-pyrrolidin-1-ylpyrimidine is Brc1cnc(N2CCCC2)nc1N1CCCCC1.
What is the InChIKey of 5-bromo-4-piperidin-1-yl-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is AJQADDUNOLZAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4/c14-11-10-15-13(18-8-4-5-9-18)16-12(11)17-6-2-1-3-7-17/h10H,1-9H2.
What are the key properties of 5-bromo-4-piperidin-1-yl-2-pyrrolidin-1-ylpyrimidine?
5-bromo-4-piperidin-1-yl-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 311.23 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-piperidin-1-yl-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 5309652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).