2-pyridin-2-yl-10-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane

C17H21N5O — CID 118746246

IUPAC2-pyridin-2-yl-10-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESc1ccc(N2CCC3(COCCN(c4ncccn4)C3)C2)nc1
InChIInChI=1S/C17H21N5O/c1-2-6-18-15(4-1)21-9-5-17(12-21)13-22(10-11-23-14-17)16-19-7-3-8-20-16/h1-4,6-8H,5,9-14H2
InChIKeyBONCDDXHEHNOQJ-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.60
Rot. Bonds2

About 2-pyridin-2-yl-10-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane

2-pyridin-2-yl-10-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 118746246) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-pyridin-2-yl-10-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name2-pyridin-2-yl-10-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID118746246
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name2-pyridin-2-yl-10-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESc1ccc(N2CCC3(COCCN(c4ncccn4)C3)C2)nc1
InChIInChI=1S/C17H21N5O/c1-2-6-18-15(4-1)21-9-5-17(12-21)13-22(10-11-23-14-17)16-19-7-3-8-20-16/h1-4,6-8H,5,9-14H2
InChIKeyBONCDDXHEHNOQJ-UHFFFAOYSA-N
XLogP1.60
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-10-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of 2-pyridin-2-yl-10-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (CID 118746246) is 2-pyridin-2-yl-10-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 2-pyridin-2-yl-10-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for 2-pyridin-2-yl-10-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is c1ccc(N2CCC3(COCCN(c4ncccn4)C3)C2)nc1.
What is the InChIKey of 2-pyridin-2-yl-10-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is BONCDDXHEHNOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-2-6-18-15(4-1)21-9-5-17(12-21)13-22(10-11-23-14-17)16-19-7-3-8-20-16/h1-4,6-8H,5,9-14H2.
What are the key properties of 2-pyridin-2-yl-10-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
2-pyridin-2-yl-10-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 311.39 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-10-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 118746246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).