5-bromo-4-cyclopentyloxypyrimidine

C9H11BrN2O — CID 66317989

IUPAC5-bromo-4-cyclopentyloxypyrimidine
SMILESBrc1cncnc1OC1CCCC1
InChIInChI=1S/C9H11BrN2O/c10-8-5-11-6-12-9(8)13-7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyAEZVKBCRJZARNT-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.56
Rot. Bonds2

About 5-bromo-4-cyclopentyloxypyrimidine

5-bromo-4-cyclopentyloxypyrimidine (PubChem CID 66317989) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 5-bromo-4-cyclopentyloxypyrimidine.

Molecular Properties

Compound Name5-bromo-4-cyclopentyloxypyrimidine
PubChem CID66317989
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name5-bromo-4-cyclopentyloxypyrimidine
SMILESBrc1cncnc1OC1CCCC1
InChIInChI=1S/C9H11BrN2O/c10-8-5-11-6-12-9(8)13-7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyAEZVKBCRJZARNT-UHFFFAOYSA-N
XLogP2.56
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-cyclopentyloxypyrimidine?
The IUPAC name of 5-bromo-4-cyclopentyloxypyrimidine (CID 66317989) is 5-bromo-4-cyclopentyloxypyrimidine.
What is the SMILES notation for 5-bromo-4-cyclopentyloxypyrimidine?
The canonical SMILES for 5-bromo-4-cyclopentyloxypyrimidine is Brc1cncnc1OC1CCCC1.
What is the InChIKey of 5-bromo-4-cyclopentyloxypyrimidine?
The InChIKey is AEZVKBCRJZARNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c10-8-5-11-6-12-9(8)13-7-3-1-2-4-7/h5-7H,1-4H2.
What are the key properties of 5-bromo-4-cyclopentyloxypyrimidine?
5-bromo-4-cyclopentyloxypyrimidine has a molecular weight of 243.10 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-cyclopentyloxypyrimidine is sourced from PubChem (CID 66317989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).