7-(5-fluoropyrimidin-2-yl)-4-methyl-4-azaspiro[2.4]heptane

C11H14FN3 — CID 170608178

IUPAC7-(5-fluoropyrimidin-2-yl)-4-methyl-4-azaspiro[2.4]heptane
SMILESCN1CCC(c2ncc(F)cn2)C12CC2
InChIInChI=1S/C11H14FN3/c1-15-5-2-9(11(15)3-4-11)10-13-6-8(12)7-14-10/h6-7,9H,2-5H2,1H3
InChIKeyIQFBSJYYLZHPAA-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.57
Rot. Bonds1

About 7-(5-fluoropyrimidin-2-yl)-4-methyl-4-azaspiro[2.4]heptane

7-(5-fluoropyrimidin-2-yl)-4-methyl-4-azaspiro[2.4]heptane (PubChem CID 170608178) has the molecular formula C11H14FN3 and a molecular weight of 207.25 g/mol. Its IUPAC name is 7-(5-fluoropyrimidin-2-yl)-4-methyl-4-azaspiro[2.4]heptane.

Molecular Properties

Compound Name7-(5-fluoropyrimidin-2-yl)-4-methyl-4-azaspiro[2.4]heptane
PubChem CID170608178
Molecular FormulaC11H14FN3
Molecular Weight207.25 g/mol
Exact Mass207.12
IUPAC Name7-(5-fluoropyrimidin-2-yl)-4-methyl-4-azaspiro[2.4]heptane
SMILESCN1CCC(c2ncc(F)cn2)C12CC2
InChIInChI=1S/C11H14FN3/c1-15-5-2-9(11(15)3-4-11)10-13-6-8(12)7-14-10/h6-7,9H,2-5H2,1H3
InChIKeyIQFBSJYYLZHPAA-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 7-(5-fluoropyrimidin-2-yl)-4-methyl-4-azaspiro[2.4]heptane?
The IUPAC name of 7-(5-fluoropyrimidin-2-yl)-4-methyl-4-azaspiro[2.4]heptane (CID 170608178) is 7-(5-fluoropyrimidin-2-yl)-4-methyl-4-azaspiro[2.4]heptane.
What is the SMILES notation for 7-(5-fluoropyrimidin-2-yl)-4-methyl-4-azaspiro[2.4]heptane?
The canonical SMILES for 7-(5-fluoropyrimidin-2-yl)-4-methyl-4-azaspiro[2.4]heptane is CN1CCC(c2ncc(F)cn2)C12CC2.
What is the InChIKey of 7-(5-fluoropyrimidin-2-yl)-4-methyl-4-azaspiro[2.4]heptane?
The InChIKey is IQFBSJYYLZHPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3/c1-15-5-2-9(11(15)3-4-11)10-13-6-8(12)7-14-10/h6-7,9H,2-5H2,1H3.
What are the key properties of 7-(5-fluoropyrimidin-2-yl)-4-methyl-4-azaspiro[2.4]heptane?
7-(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 7-(5-fluoropyrimidin-2-yl)-4-methyl-4-azaspiro[2.4]heptane is sourced from PubChem (CID 170608178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).