8-methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane

C14H22N4O — CID 118742778

IUPAC8-methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCc1cnc(N2CCOC3(CCCN(C)C3)C2)nc1
InChIInChI=1S/C14H22N4O/c1-12-8-15-13(16-9-12)18-6-7-19-14(11-18)4-3-5-17(2)10-14/h8-9H,3-7,10-11H2,1-2H3
InChIKeyXZLYJUBMAFOKRK-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.09
Rot. Bonds1

About 8-methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane

8-methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 118742778) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 8-methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name8-methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID118742778
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name8-methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCc1cnc(N2CCOC3(CCCN(C)C3)C2)nc1
InChIInChI=1S/C14H22N4O/c1-12-8-15-13(16-9-12)18-6-7-19-14(11-18)4-3-5-17(2)10-14/h8-9H,3-7,10-11H2,1-2H3
InChIKeyXZLYJUBMAFOKRK-UHFFFAOYSA-N
XLogP1.09
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of 8-methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane (CID 118742778) is 8-methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 8-methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for 8-methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane is Cc1cnc(N2CCOC3(CCCN(C)C3)C2)nc1.
What is the InChIKey of 8-methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is XZLYJUBMAFOKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-12-8-15-13(16-9-12)18-6-7-19-14(11-18)4-3-5-17(2)10-14/h8-9H,3-7,10-11H2,1-2H3.
What are the key properties of 8-methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane?
8-methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 262.36 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 118742778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).