8-[5-(4-fluorophenyl)pyrimidin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane

C17H18FN3O2 — CID 5244905

IUPAC8-[5-(4-fluorophenyl)pyrimidin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1ccc(-c2cnc(N3CCC4(CC3)OCCO4)nc2)cc1
InChIInChI=1S/C17H18FN3O2/c18-15-3-1-13(2-4-15)14-11-19-16(20-12-14)21-7-5-17(6-8-21)22-9-10-23-17/h1-4,11-12H,5-10H2
InChIKeyULJXUPIEYXKPET-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.63
Rot. Bonds2

About 8-[5-(4-fluorophenyl)pyrimidin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[5-(4-fluorophenyl)pyrimidin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 5244905) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 8-[5-(4-fluorophenyl)pyrimidin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[5-(4-fluorophenyl)pyrimidin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID5244905
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name8-[5-(4-fluorophenyl)pyrimidin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1ccc(-c2cnc(N3CCC4(CC3)OCCO4)nc2)cc1
InChIInChI=1S/C17H18FN3O2/c18-15-3-1-13(2-4-15)14-11-19-16(20-12-14)21-7-5-17(6-8-21)22-9-10-23-17/h1-4,11-12H,5-10H2
InChIKeyULJXUPIEYXKPET-UHFFFAOYSA-N
XLogP2.63
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(4-fluorophenyl)pyrimidin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[5-(4-fluorophenyl)pyrimidin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 5244905) is 8-[5-(4-fluorophenyl)pyrimidin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[5-(4-fluorophenyl)pyrimidin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[5-(4-fluorophenyl)pyrimidin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane is Fc1ccc(-c2cnc(N3CCC4(CC3)OCCO4)nc2)cc1.
What is the InChIKey of 8-[5-(4-fluorophenyl)pyrimidin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is ULJXUPIEYXKPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-15-3-1-13(2-4-15)14-11-19-16(20-12-14)21-7-5-17(6-8-21)22-9-10-23-17/h1-4,11-12H,5-10H2.
What are the key properties of 8-[5-(4-fluorophenyl)pyrimidin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[5-(4-fluorophenyl)pyrimidin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 315.35 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(4-fluorophenyl)pyrimidin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 5244905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).