(1R,3S)-3-ethoxy-7-(2,5,6-trimethylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol

C17H27N3O2 — CID 97321248

IUPAC(1R,3S)-3-ethoxy-7-(2,5,6-trimethylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
SMILESCCO[C@H]1C[C@@H](O)C12CCN(c1nc(C)nc(C)c1C)CC2
InChIInChI=1S/C17H27N3O2/c1-5-22-15-10-14(21)17(15)6-8-20(9-7-17)16-11(2)12(3)18-13(4)19-16/h14-15,21H,5-10H2,1-4H3/t14-,15+/m1/s1
InChIKeyZESWYOOVAYZWBY-CABCVRRESA-N
MW305.42 g/mol
LogP2.16
Rot. Bonds3

About (1R,3S)-3-ethoxy-7-(2,5,6-trimethylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol

(1R,3S)-3-ethoxy-7-(2,5,6-trimethylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol (PubChem CID 97321248) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (1R,3S)-3-ethoxy-7-(2,5,6-trimethylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name(1R,3S)-3-ethoxy-7-(2,5,6-trimethylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
PubChem CID97321248
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(1R,3S)-3-ethoxy-7-(2,5,6-trimethylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
SMILESCCO[C@H]1C[C@@H](O)C12CCN(c1nc(C)nc(C)c1C)CC2
InChIInChI=1S/C17H27N3O2/c1-5-22-15-10-14(21)17(15)6-8-20(9-7-17)16-11(2)12(3)18-13(4)19-16/h14-15,21H,5-10H2,1-4H3/t14-,15+/m1/s1
InChIKeyZESWYOOVAYZWBY-CABCVRRESA-N
XLogP2.16
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,3R)-7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 97100876
(1S,3R)-3-ethoxy-7-(6-methylquinazolin-4-yl)-7-azaspiro[3.5]nonan-1-ol
CID 97100878
4-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)benzonitrile
CID 86777838
(1S,3R)-7-(5-bromopyrimidin-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 97216261
(1S,3R)-3-ethoxy-7-(6-propan-2-yloxypyrazin-2-yl)-7-azaspiro[3.5]nonan-1-ol
CID 99610576
(1S,3S)-3-ethoxy-7-(6-propan-2-yloxypyrazin-2-yl)-7-azaspiro[3.5]nonan-1-ol
CID 99610577
3-ethoxy-7-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
CID 133403099
(1R,3S)-3-ethoxy-7-(7H-purin-6-yl)-7-azaspiro[3.5]nonan-1-ol
CID 97216316
(1R,3S)-7-[6-chloro-5-(methylamino)pyrimidin-4-yl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 99638716
3-ethoxy-7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-7-azaspiro[3.5]nonan-1-ol
CID 167859325
3-ethoxy-7-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-7-azaspiro[3.5]nonan-1-ol
CID 71929931
3-chloro-6-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pyridine-2-carbonitrile
CID 75373310

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-ethoxy-7-(2,5,6-trimethylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of (1R,3S)-3-ethoxy-7-(2,5,6-trimethylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol (CID 97321248) is (1R,3S)-3-ethoxy-7-(2,5,6-trimethylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for (1R,3S)-3-ethoxy-7-(2,5,6-trimethylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for (1R,3S)-3-ethoxy-7-(2,5,6-trimethylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol is CCO[C@H]1C[C@@H](O)C12CCN(c1nc(C)nc(C)c1C)CC2.
What is the InChIKey of (1R,3S)-3-ethoxy-7-(2,5,6-trimethylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is ZESWYOOVAYZWBY-CABCVRRESA-N. The full InChI is InChI=1S/C17H27N3O2/c1-5-22-15-10-14(21)17(15)6-8-20(9-7-17)16-11(2)12(3)18-13(4)19-16/h14-15,21H,5-10H2,1-4H3/t14-,15+/m1/s1.
What are the key properties of (1R,3S)-3-ethoxy-7-(2,5,6-trimethylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol?
(1R,3S)-3-ethoxy-7-(2,5,6-trimethylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 305.42 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-ethoxy-7-(2,5,6-trimethylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 97321248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).