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

C15H23N3O4 — CID 97199555

IUPAC(5S)-9-(4,6-dimethoxypyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESCOc1cc(OC)nc(N2CCC3(CC2)OCCC[C@@H]3O)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/t11-/m0/s1
InChIKeyUTZJIZASQZJLHN-NSHDSACASA-N
MW309.37 g/mol
LogP1.00
Rot. Bonds3

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

(5S)-9-(4,6-dimethoxypyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol (PubChem CID 97199555) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is (5S)-9-(4,6-dimethoxypyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol.

Molecular Properties

Compound Name(5S)-9-(4,6-dimethoxypyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
PubChem CID97199555
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name(5S)-9-(4,6-dimethoxypyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESCOc1cc(OC)nc(N2CCC3(CC2)OCCC[C@@H]3O)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/t11-/m0/s1
InChIKeyUTZJIZASQZJLHN-NSHDSACASA-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 (5S)-9-(4,6-dimethoxypyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The IUPAC name of (5S)-9-(4,6-dimethoxypyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol (CID 97199555) is (5S)-9-(4,6-dimethoxypyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol.
What is the SMILES notation for (5S)-9-(4,6-dimethoxypyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The canonical SMILES for (5S)-9-(4,6-dimethoxypyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol is COc1cc(OC)nc(N2CCC3(CC2)OCCC[C@@H]3O)n1.
What is the InChIKey of (5S)-9-(4,6-dimethoxypyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The InChIKey is UTZJIZASQZJLHN-NSHDSACASA-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/t11-/m0/s1.
What are the key properties of (5S)-9-(4,6-dimethoxypyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
(5S)-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 (5S)-9-(4,6-dimethoxypyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol is sourced from PubChem (CID 97199555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).