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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Related Compounds

2-(2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecane
CID 102850690
5-(5-bromo-6-methyl-2-pyridinyl)-5-azaspiro[2.5]octane
CID 133481074
(5R)-2-(2-methylsulfanylpyrimidin-4-yl)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane
CID 95726693
2-(6-methyl-2-pyridinyl)-2-azaspiro[5.5]undec-9-ene
CID 133483282
(5R)-2,9-bis(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 97450270
2-(5-azaspiro[2.5]octan-5-yl)quinoline-6-carbonitrile
CID 133480851
2-(5-azaspiro[2.5]octan-5-yl)-1H-benzimidazole
CID 133481137
2-pyrimidin-4-yl-2,8-diazaspiro[5.5]undecane
CID 102850610
(5S)-7-cyclohexyl-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97131419
(5S)-9-(6-methylpyridazin-3-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 97484053
2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one
CID 137266356
6-(5-azaspiro[2.5]octan-5-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133480874

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).