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

C18H25N3O2S — CID 97100876

IUPAC(1R,3R)-7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
SMILESCCO[C@@H]1C[C@@H](O)C12CCN(c1ncnc3sc(C)c(C)c13)CC2
InChIInChI=1S/C18H25N3O2S/c1-4-23-14-9-13(22)18(14)5-7-21(8-6-18)16-15-11(2)12(3)24-17(15)20-10-19-16/h10,13-14,22H,4-9H2,1-3H3/t13-,14-/m1/s1
InChIKeyYFXDLXNEXOVJJD-ZIAGYGMSSA-N
MW347.48 g/mol
LogP3.06
Rot. Bonds3

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

(1R,3R)-7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol (PubChem CID 97100876) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is (1R,3R)-7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name(1R,3R)-7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
PubChem CID97100876
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name(1R,3R)-7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
SMILESCCO[C@@H]1C[C@@H](O)C12CCN(c1ncnc3sc(C)c(C)c13)CC2
InChIInChI=1S/C18H25N3O2S/c1-4-23-14-9-13(22)18(14)5-7-21(8-6-18)16-15-11(2)12(3)24-17(15)20-10-19-16/h10,13-14,22H,4-9H2,1-3H3/t13-,14-/m1/s1
InChIKeyYFXDLXNEXOVJJD-ZIAGYGMSSA-N
XLogP3.06
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R,3R)-7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of (1R,3R)-7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol (CID 97100876) is (1R,3R)-7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for (1R,3R)-7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for (1R,3R)-7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol is CCO[C@@H]1C[C@@H](O)C12CCN(c1ncnc3sc(C)c(C)c13)CC2.
What is the InChIKey of (1R,3R)-7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is YFXDLXNEXOVJJD-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-4-23-14-9-13(22)18(14)5-7-21(8-6-18)16-15-11(2)12(3)24-17(15)20-10-19-16/h10,13-14,22H,4-9H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of (1R,3R)-7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
(1R,3R)-7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 347.48 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 97100876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).