6-azaspiro[3.4]octan-6-yl-(5-hydroxypyrimidin-4-yl)methanone

C12H15N3O2 — CID 155541347

IUPAC6-azaspiro[3.4]octan-6-yl-(5-hydroxypyrimidin-4-yl)methanone
SMILESO=C(c1ncncc1O)N1CCC2(CCC2)C1
InChIInChI=1S/C12H15N3O2/c16-9-6-13-8-14-10(9)11(17)15-5-4-12(7-15)2-1-3-12/h6,8,16H,1-5,7H2
InChIKeyUNZPFZNKNHHQOM-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.20
Rot. Bonds1

About 6-azaspiro[3.4]octan-6-yl-(5-hydroxypyrimidin-4-yl)methanone

6-azaspiro[3.4]octan-6-yl-(5-hydroxypyrimidin-4-yl)methanone (PubChem CID 155541347) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 6-azaspiro[3.4]octan-6-yl-(5-hydroxypyrimidin-4-yl)methanone.

Molecular Properties

Compound Name6-azaspiro[3.4]octan-6-yl-(5-hydroxypyrimidin-4-yl)methanone
PubChem CID155541347
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name6-azaspiro[3.4]octan-6-yl-(5-hydroxypyrimidin-4-yl)methanone
SMILESO=C(c1ncncc1O)N1CCC2(CCC2)C1
InChIInChI=1S/C12H15N3O2/c16-9-6-13-8-14-10(9)11(17)15-5-4-12(7-15)2-1-3-12/h6,8,16H,1-5,7H2
InChIKeyUNZPFZNKNHHQOM-UHFFFAOYSA-N
XLogP1.20
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[3.4]octan-6-yl-(5-hydroxypyrimidin-4-yl)methanone?
The IUPAC name of 6-azaspiro[3.4]octan-6-yl-(5-hydroxypyrimidin-4-yl)methanone (CID 155541347) is 6-azaspiro[3.4]octan-6-yl-(5-hydroxypyrimidin-4-yl)methanone.
What is the SMILES notation for 6-azaspiro[3.4]octan-6-yl-(5-hydroxypyrimidin-4-yl)methanone?
The canonical SMILES for 6-azaspiro[3.4]octan-6-yl-(5-hydroxypyrimidin-4-yl)methanone is O=C(c1ncncc1O)N1CCC2(CCC2)C1.
What is the InChIKey of 6-azaspiro[3.4]octan-6-yl-(5-hydroxypyrimidin-4-yl)methanone?
The InChIKey is UNZPFZNKNHHQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c16-9-6-13-8-14-10(9)11(17)15-5-4-12(7-15)2-1-3-12/h6,8,16H,1-5,7H2.
What are the key properties of 6-azaspiro[3.4]octan-6-yl-(5-hydroxypyrimidin-4-yl)methanone?
6-azaspiro[3.4]octan-6-yl-(5-hydroxypyrimidin-4-yl)methanone has a molecular weight of 233.27 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[3.4]octan-6-yl-(5-hydroxypyrimidin-4-yl)methanone is sourced from PubChem (CID 155541347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).