2-(oxolan-3-ylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane

C17H26N4O — CID 118745494

IUPAC2-(oxolan-3-ylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
SMILESc1cnc(N2CCC3(CCN(CC4CCOC4)C3)CC2)nc1
InChIInChI=1S/C17H26N4O/c1-6-18-16(19-7-1)21-9-4-17(5-10-21)3-8-20(14-17)12-15-2-11-22-13-15/h1,6-7,15H,2-5,8-14H2
InChIKeyZETJHCSFPXRUDV-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.81
Rot. Bonds3

About 2-(oxolan-3-ylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane

2-(oxolan-3-ylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 118745494) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(oxolan-3-ylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
PubChem CID118745494
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name2-(oxolan-3-ylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
SMILESc1cnc(N2CCC3(CCN(CC4CCOC4)C3)CC2)nc1
InChIInChI=1S/C17H26N4O/c1-6-18-16(19-7-1)21-9-4-17(5-10-21)3-8-20(14-17)12-15-2-11-22-13-15/h1,6-7,15H,2-5,8-14H2
InChIKeyZETJHCSFPXRUDV-UHFFFAOYSA-N
XLogP1.81
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-(oxolan-3-ylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane (CID 118745494) is 2-(oxolan-3-ylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(oxolan-3-ylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-(oxolan-3-ylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane is c1cnc(N2CCC3(CCN(CC4CCOC4)C3)CC2)nc1.
What is the InChIKey of 2-(oxolan-3-ylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The InChIKey is ZETJHCSFPXRUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-6-18-16(19-7-1)21-9-4-17(5-10-21)3-8-20(14-17)12-15-2-11-22-13-15/h1,6-7,15H,2-5,8-14H2.
What are the key properties of 2-(oxolan-3-ylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
2-(oxolan-3-ylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 302.42 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 118745494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).