1-(2-propan-2-ylpyrimidin-4-yl)-7-oxa-1-azaspiro[3.5]nonane

C14H21N3O — CID 136536549

IUPAC1-(2-propan-2-ylpyrimidin-4-yl)-7-oxa-1-azaspiro[3.5]nonane
SMILESCC(C)c1nccc(N2CCC23CCOCC3)n1
InChIInChI=1S/C14H21N3O/c1-11(2)13-15-7-3-12(16-13)17-8-4-14(17)5-9-18-10-6-14/h3,7,11H,4-6,8-10H2,1-2H3
InChIKeyFDIPOYVFOAMILS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.36
Rot. Bonds2

About 1-(2-propan-2-ylpyrimidin-4-yl)-7-oxa-1-azaspiro[3.5]nonane

1-(2-propan-2-ylpyrimidin-4-yl)-7-oxa-1-azaspiro[3.5]nonane (PubChem CID 136536549) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(2-propan-2-ylpyrimidin-4-yl)-7-oxa-1-azaspiro[3.5]nonane.

Molecular Properties

Compound Name1-(2-propan-2-ylpyrimidin-4-yl)-7-oxa-1-azaspiro[3.5]nonane
PubChem CID136536549
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(2-propan-2-ylpyrimidin-4-yl)-7-oxa-1-azaspiro[3.5]nonane
SMILESCC(C)c1nccc(N2CCC23CCOCC3)n1
InChIInChI=1S/C14H21N3O/c1-11(2)13-15-7-3-12(16-13)17-8-4-14(17)5-9-18-10-6-14/h3,7,11H,4-6,8-10H2,1-2H3
InChIKeyFDIPOYVFOAMILS-UHFFFAOYSA-N
XLogP2.36
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylpyrimidin-4-yl)-7-oxa-1-azaspiro[3.5]nonane?
The IUPAC name of 1-(2-propan-2-ylpyrimidin-4-yl)-7-oxa-1-azaspiro[3.5]nonane (CID 136536549) is 1-(2-propan-2-ylpyrimidin-4-yl)-7-oxa-1-azaspiro[3.5]nonane.
What is the SMILES notation for 1-(2-propan-2-ylpyrimidin-4-yl)-7-oxa-1-azaspiro[3.5]nonane?
The canonical SMILES for 1-(2-propan-2-ylpyrimidin-4-yl)-7-oxa-1-azaspiro[3.5]nonane is CC(C)c1nccc(N2CCC23CCOCC3)n1.
What is the InChIKey of 1-(2-propan-2-ylpyrimidin-4-yl)-7-oxa-1-azaspiro[3.5]nonane?
The InChIKey is FDIPOYVFOAMILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(2)13-15-7-3-12(16-13)17-8-4-14(17)5-9-18-10-6-14/h3,7,11H,4-6,8-10H2,1-2H3.
What are the key properties of 1-(2-propan-2-ylpyrimidin-4-yl)-7-oxa-1-azaspiro[3.5]nonane?
1-(2-propan-2-ylpyrimidin-4-yl)-7-oxa-1-azaspiro[3.5]nonane has a molecular weight of 247.34 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylpyrimidin-4-yl)-7-oxa-1-azaspiro[3.5]nonane is sourced from PubChem (CID 136536549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).