11-(5-fluoropyrimidin-2-yl)-2-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane

C17H21FN6O — CID 118739193

IUPAC11-(5-fluoropyrimidin-2-yl)-2-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESFc1cnc(N2CCOCC3(CCCN(c4cnccn4)C3)C2)nc1
InChIInChI=1S/C17H21FN6O/c18-14-8-21-16(22-9-14)24-6-7-25-13-17(12-24)2-1-5-23(11-17)15-10-19-3-4-20-15/h3-4,8-10H,1-2,5-7,11-13H2
InChIKeyJBYBMKFPUXQHRZ-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.53
Rot. Bonds2

About 11-(5-fluoropyrimidin-2-yl)-2-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane

11-(5-fluoropyrimidin-2-yl)-2-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 118739193) has the molecular formula C17H21FN6O and a molecular weight of 344.39 g/mol. Its IUPAC name is 11-(5-fluoropyrimidin-2-yl)-2-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-(5-fluoropyrimidin-2-yl)-2-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID118739193
Molecular FormulaC17H21FN6O
Molecular Weight344.39 g/mol
Exact Mass344.18
IUPAC Name11-(5-fluoropyrimidin-2-yl)-2-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESFc1cnc(N2CCOCC3(CCCN(c4cnccn4)C3)C2)nc1
InChIInChI=1S/C17H21FN6O/c18-14-8-21-16(22-9-14)24-6-7-25-13-17(12-24)2-1-5-23(11-17)15-10-19-3-4-20-15/h3-4,8-10H,1-2,5-7,11-13H2
InChIKeyJBYBMKFPUXQHRZ-UHFFFAOYSA-N
XLogP1.53
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 11-(5-fluoropyrimidin-2-yl)-2-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of 11-(5-fluoropyrimidin-2-yl)-2-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 118739193) is 11-(5-fluoropyrimidin-2-yl)-2-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 11-(5-fluoropyrimidin-2-yl)-2-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 11-(5-fluoropyrimidin-2-yl)-2-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane is Fc1cnc(N2CCOCC3(CCCN(c4cnccn4)C3)C2)nc1.
What is the InChIKey of 11-(5-fluoropyrimidin-2-yl)-2-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is JBYBMKFPUXQHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN6O/c18-14-8-21-16(22-9-14)24-6-7-25-13-17(12-24)2-1-5-23(11-17)15-10-19-3-4-20-15/h3-4,8-10H,1-2,5-7,11-13H2.
What are the key properties of 11-(5-fluoropyrimidin-2-yl)-2-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
11-(5-fluoropyrimidin-2-yl)-2-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 344.39 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(5-fluoropyrimidin-2-yl)-2-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 118739193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).