4-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane

C16H19FN6O — CID 97372295

IUPAC4-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESFc1cnc(N2CCOC3(CCN(c4ncccn4)CC3)C2)nc1
InChIInChI=1S/C16H19FN6O/c17-13-10-20-15(21-11-13)23-8-9-24-16(12-23)2-6-22(7-3-16)14-18-4-1-5-19-14/h1,4-5,10-11H,2-3,6-9,12H2
InChIKeyOXVKDJLWMRORLS-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.28
Rot. Bonds2

About 4-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane

4-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 97372295) has the molecular formula C16H19FN6O and a molecular weight of 330.37 g/mol. Its IUPAC name is 4-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID97372295
Molecular FormulaC16H19FN6O
Molecular Weight330.37 g/mol
Exact Mass330.16
IUPAC Name4-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESFc1cnc(N2CCOC3(CCN(c4ncccn4)CC3)C2)nc1
InChIInChI=1S/C16H19FN6O/c17-13-10-20-15(21-11-13)23-8-9-24-16(12-23)2-6-22(7-3-16)14-18-4-1-5-19-14/h1,4-5,10-11H,2-3,6-9,12H2
InChIKeyOXVKDJLWMRORLS-UHFFFAOYSA-N
XLogP1.28
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 4-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 97372295) is 4-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is Fc1cnc(N2CCOC3(CCN(c4ncccn4)CC3)C2)nc1.
What is the InChIKey of 4-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is OXVKDJLWMRORLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN6O/c17-13-10-20-15(21-11-13)23-8-9-24-16(12-23)2-6-22(7-3-16)14-18-4-1-5-19-14/h1,4-5,10-11H,2-3,6-9,12H2.
What are the key properties of 4-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
4-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 330.37 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97372295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).