(5R)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane

C17H25FN4O — CID 69492853

IUPAC(5R)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane
SMILESFc1cnc(N2CCC[C@]3(CCN(C4CCOCC4)C3)C2)nc1
InChIInChI=1S/C17H25FN4O/c18-14-10-19-16(20-11-14)22-6-1-4-17(13-22)5-7-21(12-17)15-2-8-23-9-3-15/h10-11,15H,1-9,12-13H2/t17-/m1/s1
InChIKeyVRRDSLZSFGFBOL-QGZVFWFLSA-N
MW320.41 g/mol
LogP2.09
Rot. Bonds2

About (5R)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane

(5R)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane (PubChem CID 69492853) has the molecular formula C17H25FN4O and a molecular weight of 320.41 g/mol. Its IUPAC name is (5R)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5R)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane
PubChem CID69492853
Molecular FormulaC17H25FN4O
Molecular Weight320.41 g/mol
Exact Mass320.20
IUPAC Name(5R)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane
SMILESFc1cnc(N2CCC[C@]3(CCN(C4CCOCC4)C3)C2)nc1
InChIInChI=1S/C17H25FN4O/c18-14-10-19-16(20-11-14)22-6-1-4-17(13-22)5-7-21(12-17)15-2-8-23-9-3-15/h10-11,15H,1-9,12-13H2/t17-/m1/s1
InChIKeyVRRDSLZSFGFBOL-QGZVFWFLSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane?
The IUPAC name of (5R)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane (CID 69492853) is (5R)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for (5R)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane?
The canonical SMILES for (5R)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane is Fc1cnc(N2CCC[C@]3(CCN(C4CCOCC4)C3)C2)nc1.
What is the InChIKey of (5R)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane?
The InChIKey is VRRDSLZSFGFBOL-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H25FN4O/c18-14-10-19-16(20-11-14)22-6-1-4-17(13-22)5-7-21(12-17)15-2-8-23-9-3-15/h10-11,15H,1-9,12-13H2/t17-/m1/s1.
What are the key properties of (5R)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane?
(5R)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane has a molecular weight of 320.41 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 69492853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).