7-(4,6-dimethylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane

C13H19N3O — CID 71971617

IUPAC7-(4,6-dimethylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
SMILESCc1cc(C)nc(N2CCC3(CCOC3)C2)n1
InChIInChI=1S/C13H19N3O/c1-10-7-11(2)15-12(14-10)16-5-3-13(8-16)4-6-17-9-13/h7H,3-6,8-9H2,1-2H3
InChIKeyNJBBSIXPEJTZIH-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.71
Rot. Bonds1

About 7-(4,6-dimethylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane

7-(4,6-dimethylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane (PubChem CID 71971617) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 7-(4,6-dimethylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-(4,6-dimethylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
PubChem CID71971617
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name7-(4,6-dimethylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
SMILESCc1cc(C)nc(N2CCC3(CCOC3)C2)n1
InChIInChI=1S/C13H19N3O/c1-10-7-11(2)15-12(14-10)16-5-3-13(8-16)4-6-17-9-13/h7H,3-6,8-9H2,1-2H3
InChIKeyNJBBSIXPEJTZIH-UHFFFAOYSA-N
XLogP1.71
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4,6-dimethylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-(4,6-dimethylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane (CID 71971617) is 7-(4,6-dimethylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-(4,6-dimethylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-(4,6-dimethylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane is Cc1cc(C)nc(N2CCC3(CCOC3)C2)n1.
What is the InChIKey of 7-(4,6-dimethylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane?
The InChIKey is NJBBSIXPEJTZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-7-11(2)15-12(14-10)16-5-3-13(8-16)4-6-17-9-13/h7H,3-6,8-9H2,1-2H3.
What are the key properties of 7-(4,6-dimethylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane?
7-(4,6-dimethylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane has a molecular weight of 233.31 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,6-dimethylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 71971617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).