(1R,3S)-3-ethoxy-7-(7H-purin-6-yl)-7-azaspiro[3.5]nonan-1-ol

C15H21N5O2 — CID 97216316

IUPAC(1R,3S)-3-ethoxy-7-(7H-purin-6-yl)-7-azaspiro[3.5]nonan-1-ol
SMILESCCO[C@H]1C[C@@H](O)C12CCN(c1ncnc3nc[nH]c13)CC2
InChIInChI=1S/C15H21N5O2/c1-2-22-11-7-10(21)15(11)3-5-20(6-4-15)14-12-13(17-8-16-12)18-9-19-14/h8-11,21H,2-7H2,1H3,(H,16,17,18,19)/t10-,11+/m1/s1
InChIKeyLJGAECYPWFDGTN-MNOVXSKESA-N
MW303.37 g/mol
LogP1.11
Rot. Bonds3

About (1R,3S)-3-ethoxy-7-(7H-purin-6-yl)-7-azaspiro[3.5]nonan-1-ol

(1R,3S)-3-ethoxy-7-(7H-purin-6-yl)-7-azaspiro[3.5]nonan-1-ol (PubChem CID 97216316) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is (1R,3S)-3-ethoxy-7-(7H-purin-6-yl)-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name(1R,3S)-3-ethoxy-7-(7H-purin-6-yl)-7-azaspiro[3.5]nonan-1-ol
PubChem CID97216316
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name(1R,3S)-3-ethoxy-7-(7H-purin-6-yl)-7-azaspiro[3.5]nonan-1-ol
SMILESCCO[C@H]1C[C@@H](O)C12CCN(c1ncnc3nc[nH]c13)CC2
InChIInChI=1S/C15H21N5O2/c1-2-22-11-7-10(21)15(11)3-5-20(6-4-15)14-12-13(17-8-16-12)18-9-19-14/h8-11,21H,2-7H2,1H3,(H,16,17,18,19)/t10-,11+/m1/s1
InChIKeyLJGAECYPWFDGTN-MNOVXSKESA-N
XLogP1.11
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-ethoxy-7-(7H-purin-6-yl)-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of (1R,3S)-3-ethoxy-7-(7H-purin-6-yl)-7-azaspiro[3.5]nonan-1-ol (CID 97216316) is (1R,3S)-3-ethoxy-7-(7H-purin-6-yl)-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for (1R,3S)-3-ethoxy-7-(7H-purin-6-yl)-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for (1R,3S)-3-ethoxy-7-(7H-purin-6-yl)-7-azaspiro[3.5]nonan-1-ol is CCO[C@H]1C[C@@H](O)C12CCN(c1ncnc3nc[nH]c13)CC2.
What is the InChIKey of (1R,3S)-3-ethoxy-7-(7H-purin-6-yl)-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is LJGAECYPWFDGTN-MNOVXSKESA-N. The full InChI is InChI=1S/C15H21N5O2/c1-2-22-11-7-10(21)15(11)3-5-20(6-4-15)14-12-13(17-8-16-12)18-9-19-14/h8-11,21H,2-7H2,1H3,(H,16,17,18,19)/t10-,11+/m1/s1.
What are the key properties of (1R,3S)-3-ethoxy-7-(7H-purin-6-yl)-7-azaspiro[3.5]nonan-1-ol?
(1R,3S)-3-ethoxy-7-(7H-purin-6-yl)-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 303.37 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-ethoxy-7-(7H-purin-6-yl)-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 97216316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).