9-(oxolan-3-ylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane

C17H26N4O2 — CID 118745296

IUPAC9-(oxolan-3-ylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESc1cnc(N2CCOC3(CCN(CC4CCOC4)CC3)C2)nc1
InChIInChI=1S/C17H26N4O2/c1-5-18-16(19-6-1)21-9-11-23-17(14-21)3-7-20(8-4-17)12-15-2-10-22-13-15/h1,5-6,15H,2-4,7-14H2
InChIKeyAUEZCIKBPIQAMV-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.18
Rot. Bonds3

About 9-(oxolan-3-ylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane

9-(oxolan-3-ylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 118745296) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 9-(oxolan-3-ylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(oxolan-3-ylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID118745296
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name9-(oxolan-3-ylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESc1cnc(N2CCOC3(CCN(CC4CCOC4)CC3)C2)nc1
InChIInChI=1S/C17H26N4O2/c1-5-18-16(19-6-1)21-9-11-23-17(14-21)3-7-20(8-4-17)12-15-2-10-22-13-15/h1,5-6,15H,2-4,7-14H2
InChIKeyAUEZCIKBPIQAMV-UHFFFAOYSA-N
XLogP1.18
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(oxolan-3-ylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(oxolan-3-ylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 118745296) is 9-(oxolan-3-ylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(oxolan-3-ylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(oxolan-3-ylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is c1cnc(N2CCOC3(CCN(CC4CCOC4)CC3)C2)nc1.
What is the InChIKey of 9-(oxolan-3-ylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is AUEZCIKBPIQAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-5-18-16(19-6-1)21-9-11-23-17(14-21)3-7-20(8-4-17)12-15-2-10-22-13-15/h1,5-6,15H,2-4,7-14H2.
What are the key properties of 9-(oxolan-3-ylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
9-(oxolan-3-ylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 318.42 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(oxolan-3-ylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 118745296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).