4-(5-methylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane

C17H22N6O — CID 118739020

IUPAC4-(5-methylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCc1cnc(N2CCOC3(CCCN(c4ncccn4)C3)C2)nc1
InChIInChI=1S/C17H22N6O/c1-14-10-20-16(21-11-14)23-8-9-24-17(13-23)4-2-7-22(12-17)15-18-5-3-6-19-15/h3,5-6,10-11H,2,4,7-9,12-13H2,1H3
InChIKeyHJALTQHELHNJQG-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.45
Rot. Bonds2

About 4-(5-methylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane

4-(5-methylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 118739020) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-(5-methylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(5-methylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID118739020
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name4-(5-methylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCc1cnc(N2CCOC3(CCCN(c4ncccn4)C3)C2)nc1
InChIInChI=1S/C17H22N6O/c1-14-10-20-16(21-11-14)23-8-9-24-17(13-23)4-2-7-22(12-17)15-18-5-3-6-19-15/h3,5-6,10-11H,2,4,7-9,12-13H2,1H3
InChIKeyHJALTQHELHNJQG-UHFFFAOYSA-N
XLogP1.45
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of 4-(5-methylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane (CID 118739020) is 4-(5-methylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(5-methylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(5-methylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane is Cc1cnc(N2CCOC3(CCCN(c4ncccn4)C3)C2)nc1.
What is the InChIKey of 4-(5-methylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is HJALTQHELHNJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-14-10-20-16(21-11-14)23-8-9-24-17(13-23)4-2-7-22(12-17)15-18-5-3-6-19-15/h3,5-6,10-11H,2,4,7-9,12-13H2,1H3.
What are the key properties of 4-(5-methylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
4-(5-methylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 326.40 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 118739020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).