9-[(4-fluorophenyl)methyl]-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane

C20H25FN4 — CID 97370737

IUPAC9-[(4-fluorophenyl)methyl]-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane
SMILESFc1ccc(CN2CCC3(CC2)CCN(c2ncccn2)CC3)cc1
InChIInChI=1S/C20H25FN4/c21-18-4-2-17(3-5-18)16-24-12-6-20(7-13-24)8-14-25(15-9-20)19-22-10-1-11-23-19/h1-5,10-11H,6-9,12-16H2
InChIKeyDSEVPCRKMKAEBL-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.50
Rot. Bonds3

About 9-[(4-fluorophenyl)methyl]-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane

9-[(4-fluorophenyl)methyl]-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane (PubChem CID 97370737) has the molecular formula C20H25FN4 and a molecular weight of 340.45 g/mol. Its IUPAC name is 9-[(4-fluorophenyl)methyl]-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-[(4-fluorophenyl)methyl]-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane
PubChem CID97370737
Molecular FormulaC20H25FN4
Molecular Weight340.45 g/mol
Exact Mass340.21
IUPAC Name9-[(4-fluorophenyl)methyl]-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane
SMILESFc1ccc(CN2CCC3(CC2)CCN(c2ncccn2)CC3)cc1
InChIInChI=1S/C20H25FN4/c21-18-4-2-17(3-5-18)16-24-12-6-20(7-13-24)8-14-25(15-9-20)19-22-10-1-11-23-19/h1-5,10-11H,6-9,12-16H2
InChIKeyDSEVPCRKMKAEBL-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 9-[(4-fluorophenyl)methyl]-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-[(4-fluorophenyl)methyl]-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane (CID 97370737) is 9-[(4-fluorophenyl)methyl]-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-[(4-fluorophenyl)methyl]-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-[(4-fluorophenyl)methyl]-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane is Fc1ccc(CN2CCC3(CC2)CCN(c2ncccn2)CC3)cc1.
What is the InChIKey of 9-[(4-fluorophenyl)methyl]-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane?
The InChIKey is DSEVPCRKMKAEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4/c21-18-4-2-17(3-5-18)16-24-12-6-20(7-13-24)8-14-25(15-9-20)19-22-10-1-11-23-19/h1-5,10-11H,6-9,12-16H2.
What are the key properties of 9-[(4-fluorophenyl)methyl]-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane?
9-[(4-fluorophenyl)methyl]-3-pyrimidin-2-yl-3,9-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 9-[(4-fluorophenyl)methyl]-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97370737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).