(8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane

C17H25N3O3 — CID 124893560

IUPAC(8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1ccnc(O[C@@H]2CCOC3(C2)CN(C2CCOCC2)C3)n1
InChIInChI=1S/C17H25N3O3/c1-13-2-6-18-16(19-13)23-15-5-9-22-17(10-15)11-20(12-17)14-3-7-21-8-4-14/h2,6,14-15H,3-5,7-12H2,1H3/t15-/m1/s1
InChIKeyNBRDPONKSDZCGM-OAHLLOKOSA-N
MW319.40 g/mol
LogP1.58
Rot. Bonds3

About (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane

(8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124893560) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124893560
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name(8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1ccnc(O[C@@H]2CCOC3(C2)CN(C2CCOCC2)C3)n1
InChIInChI=1S/C17H25N3O3/c1-13-2-6-18-16(19-13)23-15-5-9-22-17(10-15)11-20(12-17)14-3-7-21-8-4-14/h2,6,14-15H,3-5,7-12H2,1H3/t15-/m1/s1
InChIKeyNBRDPONKSDZCGM-OAHLLOKOSA-N
XLogP1.58
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane (CID 124893560) is (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane is Cc1ccnc(O[C@@H]2CCOC3(C2)CN(C2CCOCC2)C3)n1.
What is the InChIKey of (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is NBRDPONKSDZCGM-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-13-2-6-18-16(19-13)23-15-5-9-22-17(10-15)11-20(12-17)14-3-7-21-8-4-14/h2,6,14-15H,3-5,7-12H2,1H3/t15-/m1/s1.
What are the key properties of (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane?
(8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 319.40 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124893560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).