2-[(2-fluorophenyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane

C20H25FN4 — CID 95042938

IUPAC2-[(2-fluorophenyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
SMILESFc1ccccc1CN1CCCC2(CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C20H25FN4/c21-18-6-2-1-5-17(18)15-24-12-3-7-20(16-24)8-13-25(14-9-20)19-22-10-4-11-23-19/h1-2,4-6,10-11H,3,7-9,12-16H2
InChIKeyGBFITDKPDOQGEJ-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.50
Rot. Bonds3

About 2-[(2-fluorophenyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane

2-[(2-fluorophenyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane (PubChem CID 95042938) has the molecular formula C20H25FN4 and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
PubChem CID95042938
Molecular FormulaC20H25FN4
Molecular Weight340.45 g/mol
Exact Mass340.21
IUPAC Name2-[(2-fluorophenyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
SMILESFc1ccccc1CN1CCCC2(CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C20H25FN4/c21-18-6-2-1-5-17(18)15-24-12-3-7-20(16-24)8-13-25(14-9-20)19-22-10-4-11-23-19/h1-2,4-6,10-11H,3,7-9,12-16H2
InChIKeyGBFITDKPDOQGEJ-UHFFFAOYSA-N
XLogP3.50
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane (CID 95042938) is 2-[(2-fluorophenyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane is Fc1ccccc1CN1CCCC2(CCN(c3ncccn3)CC2)C1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane?
The InChIKey is GBFITDKPDOQGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4/c21-18-6-2-1-5-17(18)15-24-12-3-7-20(16-24)8-13-25(14-9-20)19-22-10-4-11-23-19/h1-2,4-6,10-11H,3,7-9,12-16H2.
What are the key properties of 2-[(2-fluorophenyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane?
2-[(2-fluorophenyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane has a molecular weight of 340.45 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 95042938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).