3-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine

C17H23N7O — CID 66724803

IUPAC3-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
SMILESCn1nccc1-c1cc(N2CC3(CN4CCC3CC4)OC2N)ncn1
InChIInChI=1S/C17H23N7O/c1-22-14(2-5-21-22)13-8-15(20-11-19-13)24-10-17(25-16(24)18)9-23-6-3-12(17)4-7-23/h2,5,8,11-12,16H,3-4,6-7,9-10,18H2,1H3
InChIKeyAAGUKUSRNBACDG-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.42
Rot. Bonds2

About 3-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine

3-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine (PubChem CID 66724803) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine.

Molecular Properties

Compound Name3-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
PubChem CID66724803
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name3-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
SMILESCn1nccc1-c1cc(N2CC3(CN4CCC3CC4)OC2N)ncn1
InChIInChI=1S/C17H23N7O/c1-22-14(2-5-21-22)13-8-15(20-11-19-13)24-10-17(25-16(24)18)9-23-6-3-12(17)4-7-23/h2,5,8,11-12,16H,3-4,6-7,9-10,18H2,1H3
InChIKeyAAGUKUSRNBACDG-UHFFFAOYSA-N
XLogP0.42
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The IUPAC name of 3-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine (CID 66724803) is 3-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine.
What is the SMILES notation for 3-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The canonical SMILES for 3-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine is Cn1nccc1-c1cc(N2CC3(CN4CCC3CC4)OC2N)ncn1.
What is the InChIKey of 3-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The InChIKey is AAGUKUSRNBACDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-22-14(2-5-21-22)13-8-15(20-11-19-13)24-10-17(25-16(24)18)9-23-6-3-12(17)4-7-23/h2,5,8,11-12,16H,3-4,6-7,9-10,18H2,1H3.
What are the key properties of 3-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
3-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine has a molecular weight of 341.42 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine is sourced from PubChem (CID 66724803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).