9-methyl-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[1,2-a]pyrimidin-4-one

C15H17N3O2 — CID 166291945

IUPAC9-methyl-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(N3CCOC4(CC4)C3)nc12
InChIInChI=1S/C15H17N3O2/c1-11-3-2-6-18-13(19)9-12(16-14(11)18)17-7-8-20-15(10-17)4-5-15/h2-3,6,9H,4-5,7-8,10H2,1H3
InChIKeyWRFFUTIXNRJSFI-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.37
Rot. Bonds1

About 9-methyl-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[1,2-a]pyrimidin-4-one

9-methyl-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 166291945) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 9-methyl-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID166291945
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name9-methyl-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(N3CCOC4(CC4)C3)nc12
InChIInChI=1S/C15H17N3O2/c1-11-3-2-6-18-13(19)9-12(16-14(11)18)17-7-8-20-15(10-17)4-5-15/h2-3,6,9H,4-5,7-8,10H2,1H3
InChIKeyWRFFUTIXNRJSFI-UHFFFAOYSA-N
XLogP1.37
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[1,2-a]pyrimidin-4-one (CID 166291945) is 9-methyl-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(N3CCOC4(CC4)C3)nc12.
What is the InChIKey of 9-methyl-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WRFFUTIXNRJSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-3-2-6-18-13(19)9-12(16-14(11)18)17-7-8-20-15(10-17)4-5-15/h2-3,6,9H,4-5,7-8,10H2,1H3.
What are the key properties of 9-methyl-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[1,2-a]pyrimidin-4-one?
9-methyl-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 271.32 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 166291945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).