(5S,9S)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-9-ol

C11H15N3O2 — CID 110155615

IUPAC(5S,9S)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-9-ol
SMILESO[C@H]1CN(c2ncccn2)C[C@@]12CCCO2
InChIInChI=1S/C11H15N3O2/c15-9-7-14(10-12-4-2-5-13-10)8-11(9)3-1-6-16-11/h2,4-5,9,15H,1,3,6-8H2/t9-,11-/m0/s1
InChIKeyRULORPVAUAGPKQ-ONGXEEELSA-N
MW221.26 g/mol
LogP0.21
Rot. Bonds1

About (5S,9S)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-9-ol

(5S,9S)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-9-ol (PubChem CID 110155615) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is (5S,9S)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-9-ol.

Molecular Properties

Compound Name(5S,9S)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-9-ol
PubChem CID110155615
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name(5S,9S)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-9-ol
SMILESO[C@H]1CN(c2ncccn2)C[C@@]12CCCO2
InChIInChI=1S/C11H15N3O2/c15-9-7-14(10-12-4-2-5-13-10)8-11(9)3-1-6-16-11/h2,4-5,9,15H,1,3,6-8H2/t9-,11-/m0/s1
InChIKeyRULORPVAUAGPKQ-ONGXEEELSA-N
XLogP0.21
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-pyrimidin-2-yl-1-oxa-6-azaspiro[3.3]heptane
CID 130685819
2-pyrimidin-2-yl-2-azaspiro[4.5]decane-4-carboxylic acid
CID 122160567
(5S,9S)-7-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol
CID 110156275
[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110159848
[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methyl-2-pyridinyl)methanone
CID 110156165
1-pyrimidin-2-ylazetidin-3-ol;hydrochloride
CID 155858524
(5S,6S)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110155828
2-pyrimidin-2-yl-2-azaspiro[3.3]heptane
CID 118413240
(3S,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpyrrolidin-3-ol
CID 72905929
(1-ethylpyrazol-4-yl)-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 110156225
1-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 110156506
(5S,6S)-8-pyridin-3-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110159618

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-9-ol?
The IUPAC name of (5S,9S)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-9-ol (CID 110155615) is (5S,9S)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-9-ol.
What is the SMILES notation for (5S,9S)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-9-ol?
The canonical SMILES for (5S,9S)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-9-ol is O[C@H]1CN(c2ncccn2)C[C@@]12CCCO2.
What is the InChIKey of (5S,9S)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-9-ol?
The InChIKey is RULORPVAUAGPKQ-ONGXEEELSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-9-7-14(10-12-4-2-5-13-10)8-11(9)3-1-6-16-11/h2,4-5,9,15H,1,3,6-8H2/t9-,11-/m0/s1.
What are the key properties of (5S,9S)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-9-ol?
(5S,9S)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-9-ol has a molecular weight of 221.26 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-9-ol is sourced from PubChem (CID 110155615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).