8-hydroxy-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[3.5]nonan-5-one

C13H15N5O2 — CID 138050623

IUPAC8-hydroxy-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[3.5]nonan-5-one
SMILESO=C1NCC(O)CC12CN(c1ncnc3[nH]ccc13)C2
InChIInChI=1S/C13H15N5O2/c19-8-3-13(12(20)15-4-8)5-18(6-13)11-9-1-2-14-10(9)16-7-17-11/h1-2,7-8,19H,3-6H2,(H,15,20)(H,14,16,17)
InChIKeyGBGFNTZSZNMVGT-UHFFFAOYSA-N
MW273.30 g/mol
LogP-0.35
Rot. Bonds1

About 8-hydroxy-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[3.5]nonan-5-one

8-hydroxy-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[3.5]nonan-5-one (PubChem CID 138050623) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 8-hydroxy-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[3.5]nonan-5-one.

Molecular Properties

Compound Name8-hydroxy-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[3.5]nonan-5-one
PubChem CID138050623
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name8-hydroxy-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[3.5]nonan-5-one
SMILESO=C1NCC(O)CC12CN(c1ncnc3[nH]ccc13)C2
InChIInChI=1S/C13H15N5O2/c19-8-3-13(12(20)15-4-8)5-18(6-13)11-9-1-2-14-10(9)16-7-17-11/h1-2,7-8,19H,3-6H2,(H,15,20)(H,14,16,17)
InChIKeyGBGFNTZSZNMVGT-UHFFFAOYSA-N
XLogP-0.35
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[3.5]nonan-5-one?
The IUPAC name of 8-hydroxy-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[3.5]nonan-5-one (CID 138050623) is 8-hydroxy-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[3.5]nonan-5-one.
What is the SMILES notation for 8-hydroxy-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[3.5]nonan-5-one?
The canonical SMILES for 8-hydroxy-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[3.5]nonan-5-one is O=C1NCC(O)CC12CN(c1ncnc3[nH]ccc13)C2.
What is the InChIKey of 8-hydroxy-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[3.5]nonan-5-one?
The InChIKey is GBGFNTZSZNMVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c19-8-3-13(12(20)15-4-8)5-18(6-13)11-9-1-2-14-10(9)16-7-17-11/h1-2,7-8,19H,3-6H2,(H,15,20)(H,14,16,17).
What are the key properties of 8-hydroxy-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[3.5]nonan-5-one?
8-hydroxy-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[3.5]nonan-5-one has a molecular weight of 273.30 g/mol, XLogP of -0.35, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[3.5]nonan-5-one is sourced from PubChem (CID 138050623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).