2-(5-fluoropyrimidin-2-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane

C15H16FN5O2 — CID 131648866

IUPAC2-(5-fluoropyrimidin-2-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
SMILESFc1cnc(N2CC3(CC(Oc4ncccn4)CCO3)C2)nc1
InChIInChI=1S/C15H16FN5O2/c16-11-7-19-13(20-8-11)21-9-15(10-21)6-12(2-5-22-15)23-14-17-3-1-4-18-14/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKeyOLZUFOVXDFANHH-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.22
Rot. Bonds3

About 2-(5-fluoropyrimidin-2-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane

2-(5-fluoropyrimidin-2-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 131648866) has the molecular formula C15H16FN5O2 and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-(5-fluoropyrimidin-2-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(5-fluoropyrimidin-2-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
PubChem CID131648866
Molecular FormulaC15H16FN5O2
Molecular Weight317.32 g/mol
Exact Mass317.13
IUPAC Name2-(5-fluoropyrimidin-2-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
SMILESFc1cnc(N2CC3(CC(Oc4ncccn4)CCO3)C2)nc1
InChIInChI=1S/C15H16FN5O2/c16-11-7-19-13(20-8-11)21-9-15(10-21)6-12(2-5-22-15)23-14-17-3-1-4-18-14/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKeyOLZUFOVXDFANHH-UHFFFAOYSA-N
XLogP1.22
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-(5-Fluoropyrimidin-2-yl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 134071081
(3R,5R)-9-(5-fluoropyrimidin-2-yl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 97489008
(3R,5S)-9-(5-fluoropyrimidin-2-yl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 97489009
(3S,5R)-9-(5-fluoropyrimidin-2-yl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 124521861
(3S,5S)-9-(5-fluoropyrimidin-2-yl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 124521862
(8R)-2-(5-fluoropyrimidin-2-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124783382
(8S)-2-(5-fluoropyrimidin-2-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124783383
9-(5-Fluoropyrimidin-2-yl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 131644580
2-(5-Fluoropyrimidin-2-yl)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane
CID 133136954
2-(5-Fluoropyrimidin-2-yl)-7-(piperidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 133140517
2-(5-Fluoropyrimidin-2-yl)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 133141620
2-(5-Fluoropyrimidin-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 133142747

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoropyrimidin-2-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2-(5-fluoropyrimidin-2-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane (CID 131648866) is 2-(5-fluoropyrimidin-2-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(5-fluoropyrimidin-2-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-(5-fluoropyrimidin-2-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane is Fc1cnc(N2CC3(CC(Oc4ncccn4)CCO3)C2)nc1.
What is the InChIKey of 2-(5-fluoropyrimidin-2-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is OLZUFOVXDFANHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O2/c16-11-7-19-13(20-8-11)21-9-15(10-21)6-12(2-5-22-15)23-14-17-3-1-4-18-14/h1,3-4,7-8,12H,2,5-6,9-10H2.
What are the key properties of 2-(5-fluoropyrimidin-2-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
2-(5-fluoropyrimidin-2-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 317.32 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoropyrimidin-2-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 131648866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).