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

C18H28N4O — CID 118746894

IUPAC9-(oxolan-3-ylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane
SMILESc1cnc(N2CCC3(CCN(CC4CCOC4)CC3)CC2)nc1
InChIInChI=1S/C18H28N4O/c1-7-19-17(20-8-1)22-11-5-18(6-12-22)3-9-21(10-4-18)14-16-2-13-23-15-16/h1,7-8,16H,2-6,9-15H2
InChIKeyUZZDFIKUAAUOIT-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.20
Rot. Bonds3

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

9-(oxolan-3-ylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane (PubChem CID 118746894) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 9-(oxolan-3-ylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(oxolan-3-ylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane
PubChem CID118746894
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name9-(oxolan-3-ylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane
SMILESc1cnc(N2CCC3(CCN(CC4CCOC4)CC3)CC2)nc1
InChIInChI=1S/C18H28N4O/c1-7-19-17(20-8-1)22-11-5-18(6-12-22)3-9-21(10-4-18)14-16-2-13-23-15-16/h1,7-8,16H,2-6,9-15H2
InChIKeyUZZDFIKUAAUOIT-UHFFFAOYSA-N
XLogP2.20
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(oxolan-3-ylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(oxolan-3-ylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane (CID 118746894) is 9-(oxolan-3-ylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(oxolan-3-ylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(oxolan-3-ylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane is c1cnc(N2CCC3(CCN(CC4CCOC4)CC3)CC2)nc1.
What is the InChIKey of 9-(oxolan-3-ylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane?
The InChIKey is UZZDFIKUAAUOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-7-19-17(20-8-1)22-11-5-18(6-12-22)3-9-21(10-4-18)14-16-2-13-23-15-16/h1,7-8,16H,2-6,9-15H2.
What are the key properties of 9-(oxolan-3-ylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane?
9-(oxolan-3-ylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane has a molecular weight of 316.45 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(oxolan-3-ylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 118746894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).