5-bromo-2-pyrrolidin-1-ylpyrimidine

C8H10BrN3 — CID 6622013

IUPAC5-bromo-2-pyrrolidin-1-ylpyrimidine
SMILESBrc1cnc(N2CCCC2)nc1
InChIInChI=1S/C8H10BrN3/c9-7-5-10-8(11-6-7)12-3-1-2-4-12/h5-6H,1-4H2
InChIKeyAKQGPROZPHKDMD-UHFFFAOYSA-N
MW228.09 g/mol
LogP1.84
Rot. Bonds1

About 5-bromo-2-pyrrolidin-1-ylpyrimidine

5-bromo-2-pyrrolidin-1-ylpyrimidine (PubChem CID 6622013) has the molecular formula C8H10BrN3 and a molecular weight of 228.09 g/mol. Its IUPAC name is 5-bromo-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name5-bromo-2-pyrrolidin-1-ylpyrimidine
PubChem CID6622013
Molecular FormulaC8H10BrN3
Molecular Weight228.09 g/mol
Exact Mass227.01
IUPAC Name5-bromo-2-pyrrolidin-1-ylpyrimidine
SMILESBrc1cnc(N2CCCC2)nc1
InChIInChI=1S/C8H10BrN3/c9-7-5-10-8(11-6-7)12-3-1-2-4-12/h5-6H,1-4H2
InChIKeyAKQGPROZPHKDMD-UHFFFAOYSA-N
XLogP1.84
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 5-bromo-2-pyrrolidin-1-ylpyrimidine (CID 6622013) is 5-bromo-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 5-bromo-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 5-bromo-2-pyrrolidin-1-ylpyrimidine is Brc1cnc(N2CCCC2)nc1.
What is the InChIKey of 5-bromo-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is AKQGPROZPHKDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3/c9-7-5-10-8(11-6-7)12-3-1-2-4-12/h5-6H,1-4H2.
What are the key properties of 5-bromo-2-pyrrolidin-1-ylpyrimidine?
5-bromo-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 228.09 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 6622013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).