3-ethoxy-7-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol

C18H25N3O2S — CID 133403099

IUPAC3-ethoxy-7-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
SMILESCCOC1CC(O)C12CCN(c1nc(CC)nc3sccc13)CC2
InChIInChI=1S/C18H25N3O2S/c1-3-15-19-16(12-5-10-24-17(12)20-15)21-8-6-18(7-9-21)13(22)11-14(18)23-4-2/h5,10,13-14,22H,3-4,6-9,11H2,1-2H3
InChIKeySNLJMDAXOOTNEZ-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.01
Rot. Bonds4

About 3-ethoxy-7-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol

3-ethoxy-7-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol (PubChem CID 133403099) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 3-ethoxy-7-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name3-ethoxy-7-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
PubChem CID133403099
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name3-ethoxy-7-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
SMILESCCOC1CC(O)C12CCN(c1nc(CC)nc3sccc13)CC2
InChIInChI=1S/C18H25N3O2S/c1-3-15-19-16(12-5-10-24-17(12)20-15)21-8-6-18(7-9-21)13(22)11-14(18)23-4-2/h5,10,13-14,22H,3-4,6-9,11H2,1-2H3
InChIKeySNLJMDAXOOTNEZ-UHFFFAOYSA-N
XLogP3.01
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-ethoxy-7-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol with MolForge

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Related Compounds

3-ethoxy-7-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 111457237
(1R,3S)-3-ethoxy-7-(2,5,6-trimethylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
CID 97321248
[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-ethylthiophen-2-yl)methanone
CID 97216060
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone
CID 111456792
methyl 2-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-2-hydroxyacetate
CID 133423645
(1R,3R)-7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 97100876
2-ethyl-4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133403291
2-ethyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133403917
4-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)benzonitrile
CID 86777838
(1S,3R)-3-ethoxy-7-(6-propan-2-yloxypyrazin-2-yl)-7-azaspiro[3.5]nonan-1-ol
CID 99610576
1-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]ethanol
CID 133423681
(1S,3S)-3-ethoxy-7-(6-propan-2-yloxypyrazin-2-yl)-7-azaspiro[3.5]nonan-1-ol
CID 99610577

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-7-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of 3-ethoxy-7-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol (CID 133403099) is 3-ethoxy-7-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for 3-ethoxy-7-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for 3-ethoxy-7-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol is CCOC1CC(O)C12CCN(c1nc(CC)nc3sccc13)CC2.
What is the InChIKey of 3-ethoxy-7-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is SNLJMDAXOOTNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-3-15-19-16(12-5-10-24-17(12)20-15)21-8-6-18(7-9-21)13(22)11-14(18)23-4-2/h5,10,13-14,22H,3-4,6-9,11H2,1-2H3.
What are the key properties of 3-ethoxy-7-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol?
3-ethoxy-7-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 347.48 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-7-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 133403099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).