(8S)-2-propan-2-yl-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane

C14H21N3O2 — CID 124822777

IUPAC(8S)-2-propan-2-yl-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
SMILESCC(C)N1CC2(C[C@@H](Oc3ncccn3)CCO2)C1
InChIInChI=1S/C14H21N3O2/c1-11(2)17-9-14(10-17)8-12(4-7-18-14)19-13-15-5-3-6-16-13/h3,5-6,11-12H,4,7-10H2,1-2H3/t12-/m0/s1
InChIKeyWXYXYRYSAGBTTB-LBPRGKRZSA-N
MW263.34 g/mol
LogP1.50
Rot. Bonds3

About (8S)-2-propan-2-yl-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane

(8S)-2-propan-2-yl-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124822777) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (8S)-2-propan-2-yl-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8S)-2-propan-2-yl-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124822777
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(8S)-2-propan-2-yl-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
SMILESCC(C)N1CC2(C[C@@H](Oc3ncccn3)CCO2)C1
InChIInChI=1S/C14H21N3O2/c1-11(2)17-9-14(10-17)8-12(4-7-18-14)19-13-15-5-3-6-16-13/h3,5-6,11-12H,4,7-10H2,1-2H3/t12-/m0/s1
InChIKeyWXYXYRYSAGBTTB-LBPRGKRZSA-N
XLogP1.50
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(8S)-2-(6-methylpyridazin-3-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124801965
2-methyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 131641036
(4,5-dimethylthiophen-2-yl)-(8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 131661343
2-propan-2-ylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 131692753
(8R)-8-[(6-methyl-2-pyridinyl)methoxy]-2-propan-2-yl-5-oxa-2-azaspiro[3.5]nonane
CID 124797149
2-(5-fluoropyrimidin-2-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155844367
2-(6-methylpyridazin-3-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155836701
2-[(2-methylphenyl)methyl]-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155860800
(8S)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane
CID 124893559
(8R)-8-(4-methylpyrimidin-2-yl)oxy-2-methylsulfonyl-5-oxa-2-azaspiro[3.5]nonane
CID 124893679
1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one
CID 131695272
[8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-2-ylmethanone
CID 131659884

Frequently Asked Questions

What is the IUPAC name of (8S)-2-propan-2-yl-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8S)-2-propan-2-yl-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane (CID 124822777) is (8S)-2-propan-2-yl-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8S)-2-propan-2-yl-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8S)-2-propan-2-yl-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane is CC(C)N1CC2(C[C@@H](Oc3ncccn3)CCO2)C1.
What is the InChIKey of (8S)-2-propan-2-yl-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is WXYXYRYSAGBTTB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11(2)17-9-14(10-17)8-12(4-7-18-14)19-13-15-5-3-6-16-13/h3,5-6,11-12H,4,7-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (8S)-2-propan-2-yl-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
(8S)-2-propan-2-yl-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 263.34 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-propan-2-yl-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124822777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).