6-(5-fluoropyrimidin-2-yl)-4-methyl-4-azaspiro[2.4]heptane

C11H14FN3 — CID 170607804

IUPAC6-(5-fluoropyrimidin-2-yl)-4-methyl-4-azaspiro[2.4]heptane
SMILESCN1CC(c2ncc(F)cn2)CC12CC2
InChIInChI=1S/C11H14FN3/c1-15-7-8(4-11(15)2-3-11)10-13-5-9(12)6-14-10/h5-6,8H,2-4,7H2,1H3
InChIKeyGWAYSOSUPIORQA-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.57
Rot. Bonds1

About 6-(5-fluoropyrimidin-2-yl)-4-methyl-4-azaspiro[2.4]heptane

6-(5-fluoropyrimidin-2-yl)-4-methyl-4-azaspiro[2.4]heptane (PubChem CID 170607804) has the molecular formula C11H14FN3 and a molecular weight of 207.25 g/mol. Its IUPAC name is 6-(5-fluoropyrimidin-2-yl)-4-methyl-4-azaspiro[2.4]heptane.

Molecular Properties

Compound Name6-(5-fluoropyrimidin-2-yl)-4-methyl-4-azaspiro[2.4]heptane
PubChem CID170607804
Molecular FormulaC11H14FN3
Molecular Weight207.25 g/mol
Exact Mass207.12
IUPAC Name6-(5-fluoropyrimidin-2-yl)-4-methyl-4-azaspiro[2.4]heptane
SMILESCN1CC(c2ncc(F)cn2)CC12CC2
InChIInChI=1S/C11H14FN3/c1-15-7-8(4-11(15)2-3-11)10-13-5-9(12)6-14-10/h5-6,8H,2-4,7H2,1H3
InChIKeyGWAYSOSUPIORQA-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoropyrimidin-2-yl)-4-methyl-4-azaspiro[2.4]heptane?
The IUPAC name of 6-(5-fluoropyrimidin-2-yl)-4-methyl-4-azaspiro[2.4]heptane (CID 170607804) is 6-(5-fluoropyrimidin-2-yl)-4-methyl-4-azaspiro[2.4]heptane.
What is the SMILES notation for 6-(5-fluoropyrimidin-2-yl)-4-methyl-4-azaspiro[2.4]heptane?
The canonical SMILES for 6-(5-fluoropyrimidin-2-yl)-4-methyl-4-azaspiro[2.4]heptane is CN1CC(c2ncc(F)cn2)CC12CC2.
What is the InChIKey of 6-(5-fluoropyrimidin-2-yl)-4-methyl-4-azaspiro[2.4]heptane?
The InChIKey is GWAYSOSUPIORQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3/c1-15-7-8(4-11(15)2-3-11)10-13-5-9(12)6-14-10/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 6-(5-fluoropyrimidin-2-yl)-4-methyl-4-azaspiro[2.4]heptane?
6-(5-fluoropyrimidin-2-yl)-4-methyl-4-azaspiro[2.4]heptane has a molecular weight of 207.25 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoropyrimidin-2-yl)-4-methyl-4-azaspiro[2.4]heptane is sourced from PubChem (CID 170607804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).