9-(4,6-dimethoxypyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol

C15H23N3O4 — CID 72893430

IUPAC9-(4,6-dimethoxypyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESCOc1cc(OC)nc(N2CCC3(CC2)OCCCC3O)n1
InChIInChI=1S/C15H23N3O4/c1-20-12-10-13(21-2)17-14(16-12)18-7-5-15(6-8-18)11(19)4-3-9-22-15/h10-11,19H,3-9H2,1-2H3
InChIKeyUTZJIZASQZJLHN-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.00
Rot. Bonds3

About 9-(4,6-dimethoxypyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol

9-(4,6-dimethoxypyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol (PubChem CID 72893430) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 9-(4,6-dimethoxypyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol.

Molecular Properties

Compound Name9-(4,6-dimethoxypyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
PubChem CID72893430
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name9-(4,6-dimethoxypyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESCOc1cc(OC)nc(N2CCC3(CC2)OCCCC3O)n1
InChIInChI=1S/C15H23N3O4/c1-20-12-10-13(21-2)17-14(16-12)18-7-5-15(6-8-18)11(19)4-3-9-22-15/h10-11,19H,3-9H2,1-2H3
InChIKeyUTZJIZASQZJLHN-UHFFFAOYSA-N
XLogP1.00
TPSA76.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-(4,6-dimethoxypyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The IUPAC name of 9-(4,6-dimethoxypyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol (CID 72893430) is 9-(4,6-dimethoxypyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol.
What is the SMILES notation for 9-(4,6-dimethoxypyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The canonical SMILES for 9-(4,6-dimethoxypyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol is COc1cc(OC)nc(N2CCC3(CC2)OCCCC3O)n1.
What is the InChIKey of 9-(4,6-dimethoxypyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The InChIKey is UTZJIZASQZJLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-20-12-10-13(21-2)17-14(16-12)18-7-5-15(6-8-18)11(19)4-3-9-22-15/h10-11,19H,3-9H2,1-2H3.
What are the key properties of 9-(4,6-dimethoxypyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
9-(4,6-dimethoxypyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol has a molecular weight of 309.37 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-dimethoxypyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol is sourced from PubChem (CID 72893430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).