5-(2-fluoropyrimidin-4-yl)-5-azaspiro[2.5]octane

C11H14FN3 — CID 164658112

IUPAC5-(2-fluoropyrimidin-4-yl)-5-azaspiro[2.5]octane
SMILESFc1nccc(N2CCCC3(CC3)C2)n1
InChIInChI=1S/C11H14FN3/c12-10-13-6-2-9(14-10)15-7-1-3-11(8-15)4-5-11/h2,6H,1,3-5,7-8H2
InChIKeyHCZAABLKLPLUIU-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.00
Rot. Bonds1

About 5-(2-fluoropyrimidin-4-yl)-5-azaspiro[2.5]octane

5-(2-fluoropyrimidin-4-yl)-5-azaspiro[2.5]octane (PubChem CID 164658112) has the molecular formula C11H14FN3 and a molecular weight of 207.25 g/mol. Its IUPAC name is 5-(2-fluoropyrimidin-4-yl)-5-azaspiro[2.5]octane.

Molecular Properties

Compound Name5-(2-fluoropyrimidin-4-yl)-5-azaspiro[2.5]octane
PubChem CID164658112
Molecular FormulaC11H14FN3
Molecular Weight207.25 g/mol
Exact Mass207.12
IUPAC Name5-(2-fluoropyrimidin-4-yl)-5-azaspiro[2.5]octane
SMILESFc1nccc(N2CCCC3(CC3)C2)n1
InChIInChI=1S/C11H14FN3/c12-10-13-6-2-9(14-10)15-7-1-3-11(8-15)4-5-11/h2,6H,1,3-5,7-8H2
InChIKeyHCZAABLKLPLUIU-UHFFFAOYSA-N
XLogP2.00
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoropyrimidin-4-yl)-5-azaspiro[2.5]octane?
The IUPAC name of 5-(2-fluoropyrimidin-4-yl)-5-azaspiro[2.5]octane (CID 164658112) is 5-(2-fluoropyrimidin-4-yl)-5-azaspiro[2.5]octane.
What is the SMILES notation for 5-(2-fluoropyrimidin-4-yl)-5-azaspiro[2.5]octane?
The canonical SMILES for 5-(2-fluoropyrimidin-4-yl)-5-azaspiro[2.5]octane is Fc1nccc(N2CCCC3(CC3)C2)n1.
What is the InChIKey of 5-(2-fluoropyrimidin-4-yl)-5-azaspiro[2.5]octane?
The InChIKey is HCZAABLKLPLUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3/c12-10-13-6-2-9(14-10)15-7-1-3-11(8-15)4-5-11/h2,6H,1,3-5,7-8H2.
What are the key properties of 5-(2-fluoropyrimidin-4-yl)-5-azaspiro[2.5]octane?
5-(2-fluoropyrimidin-4-yl)-5-azaspiro[2.5]octane has a molecular weight of 207.25 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoropyrimidin-4-yl)-5-azaspiro[2.5]octane is sourced from PubChem (CID 164658112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).