10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane

C18H23N5O — CID 118746241

IUPAC10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCc1cnc(N2CCOCC3(CCN(c4ccccn4)C3)C2)nc1
InChIInChI=1S/C18H23N5O/c1-15-10-20-17(21-11-15)23-8-9-24-14-18(13-23)5-7-22(12-18)16-4-2-3-6-19-16/h2-4,6,10-11H,5,7-9,12-14H2,1H3
InChIKeyGPZHVKPOEZKRJJ-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.91
Rot. Bonds2

About 10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane

10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 118746241) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID118746241
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCc1cnc(N2CCOCC3(CCN(c4ccccn4)C3)C2)nc1
InChIInChI=1S/C18H23N5O/c1-15-10-20-17(21-11-15)23-8-9-24-14-18(13-23)5-7-22(12-18)16-4-2-3-6-19-16/h2-4,6,10-11H,5,7-9,12-14H2,1H3
InChIKeyGPZHVKPOEZKRJJ-UHFFFAOYSA-N
XLogP1.91
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (CID 118746241) is 10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is Cc1cnc(N2CCOCC3(CCN(c4ccccn4)C3)C2)nc1.
What is the InChIKey of 10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is GPZHVKPOEZKRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-15-10-20-17(21-11-15)23-8-9-24-14-18(13-23)5-7-22(12-18)16-4-2-3-6-19-16/h2-4,6,10-11H,5,7-9,12-14H2,1H3.
What are the key properties of 10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 325.42 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 118746241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).