(3S,5R)-3-ethoxy-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane

C14H21N3O2 — CID 97489632

IUPAC(3S,5R)-3-ethoxy-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane
SMILESCCO[C@@H]1CO[C@]2(CCCN(c3ncccn3)C2)C1
InChIInChI=1S/C14H21N3O2/c1-2-18-12-9-14(19-10-12)5-3-8-17(11-14)13-15-6-4-7-16-13/h4,6-7,12H,2-3,5,8-11H2,1H3/t12-,14+/m0/s1
InChIKeyZTOSVTLWDDAUDO-GXTWGEPZSA-N
MW263.34 g/mol
LogP1.64
Rot. Bonds3

About (3S,5R)-3-ethoxy-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane

(3S,5R)-3-ethoxy-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane (PubChem CID 97489632) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (3S,5R)-3-ethoxy-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S,5R)-3-ethoxy-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane
PubChem CID97489632
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(3S,5R)-3-ethoxy-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane
SMILESCCO[C@@H]1CO[C@]2(CCCN(c3ncccn3)C2)C1
InChIInChI=1S/C14H21N3O2/c1-2-18-12-9-14(19-10-12)5-3-8-17(11-14)13-15-6-4-7-16-13/h4,6-7,12H,2-3,5,8-11H2,1H3/t12-,14+/m0/s1
InChIKeyZTOSVTLWDDAUDO-GXTWGEPZSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,5S)-3-(cyclopropylmethoxy)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane
CID 124521959
(3S,5R)-3-ethoxy-9-(1,3,4-thiadiazol-2-yl)-1-oxa-9-azaspiro[4.5]decane
CID 97489643
(3R,5S)-3-(pyridin-2-ylmethoxy)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155844223
3-phenyl-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane
CID 134071270
(3S,5S)-3-ethoxy-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
CID 97419682
N,N-dimethyl-2-[[(3R)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97371198
(3R,5S)-9-(6-methoxypyrimidin-4-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane
CID 97486863
(3R)-3-ethoxy-8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97450678
[(3R,5S)-3-ethoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridazin-4-ylmethanone
CID 97419440
(3S,5S)-9-(5-fluoropyrimidin-2-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155852021
(3S,5S)-3-ethoxy-9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[4.5]decane
CID 97419673
N-methyl-2-[[(3R)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97487333

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-ethoxy-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (3S,5R)-3-ethoxy-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane (CID 97489632) is (3S,5R)-3-ethoxy-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (3S,5R)-3-ethoxy-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (3S,5R)-3-ethoxy-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane is CCO[C@@H]1CO[C@]2(CCCN(c3ncccn3)C2)C1.
What is the InChIKey of (3S,5R)-3-ethoxy-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is ZTOSVTLWDDAUDO-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-18-12-9-14(19-10-12)5-3-8-17(11-14)13-15-6-4-7-16-13/h4,6-7,12H,2-3,5,8-11H2,1H3/t12-,14+/m0/s1.
What are the key properties of (3S,5R)-3-ethoxy-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane?
(3S,5R)-3-ethoxy-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 263.34 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-ethoxy-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 97489632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).