7-(5-fluoropyrimidin-2-yl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane

C15H16FN5O2 — CID 134071081

IUPAC7-(5-fluoropyrimidin-2-yl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
SMILESFc1cnc(N2CCC3(CC(Oc4ncccn4)CO3)C2)nc1
InChIInChI=1S/C15H16FN5O2/c16-11-7-19-13(20-8-11)21-5-2-15(10-21)6-12(9-22-15)23-14-17-3-1-4-18-14/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKeyAZKBCWSYAILYLS-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.22
Rot. Bonds3

About 7-(5-fluoropyrimidin-2-yl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane

7-(5-fluoropyrimidin-2-yl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 134071081) has the molecular formula C15H16FN5O2 and a molecular weight of 317.32 g/mol. Its IUPAC name is 7-(5-fluoropyrimidin-2-yl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-(5-fluoropyrimidin-2-yl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
PubChem CID134071081
Molecular FormulaC15H16FN5O2
Molecular Weight317.32 g/mol
Exact Mass317.13
IUPAC Name7-(5-fluoropyrimidin-2-yl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
SMILESFc1cnc(N2CCC3(CC(Oc4ncccn4)CO3)C2)nc1
InChIInChI=1S/C15H16FN5O2/c16-11-7-19-13(20-8-11)21-5-2-15(10-21)6-12(9-22-15)23-14-17-3-1-4-18-14/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKeyAZKBCWSYAILYLS-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

N,N-dimethyl-2-[(8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide
CID 118740942
(3S)-1-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 95400903
N-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 131659823
(3S,5S)-N-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97371832
(3S,5R)-N-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97371833
(2R,5R)-7-(5-fluoropyrimidin-2-yl)-2-(pyrazol-1-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecane
CID 97385887
(2R,5S)-7-(5-fluoropyrimidin-2-yl)-2-(pyrazol-1-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecane
CID 97385888
(3R,5R)-7-(5-fluoropyrimidin-2-yl)-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97394579
(3R,5S)-7-(5-fluoropyrimidin-2-yl)-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97394580
(3S,5S)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97394657
(3S,5R)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97394658
(3S,5S)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-4-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97394673

Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoropyrimidin-2-yl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-(5-fluoropyrimidin-2-yl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane (CID 134071081) is 7-(5-fluoropyrimidin-2-yl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-(5-fluoropyrimidin-2-yl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-(5-fluoropyrimidin-2-yl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane is Fc1cnc(N2CCC3(CC(Oc4ncccn4)CO3)C2)nc1.
What is the InChIKey of 7-(5-fluoropyrimidin-2-yl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is AZKBCWSYAILYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O2/c16-11-7-19-13(20-8-11)21-5-2-15(10-21)6-12(9-22-15)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 7-(5-fluoropyrimidin-2-yl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane?
7-(5-fluoropyrimidin-2-yl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]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 7-(5-fluoropyrimidin-2-yl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 134071081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).