3-methyl-9-[4-(methylamino)pyrimidin-2-yl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C13H19N5O2 — CID 56906192

IUPAC3-methyl-9-[4-(methylamino)pyrimidin-2-yl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCNc1ccnc(N2CCCC3(CN(C)C(=O)O3)C2)n1
InChIInChI=1S/C13H19N5O2/c1-14-10-4-6-15-11(16-10)18-7-3-5-13(9-18)8-17(2)12(19)20-13/h4,6H,3,5,7-9H2,1-2H3,(H,14,15,16)
InChIKeyFQXSWEVSBCLJOF-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.94
Rot. Bonds2

About 3-methyl-9-[4-(methylamino)pyrimidin-2-yl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

3-methyl-9-[4-(methylamino)pyrimidin-2-yl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 56906192) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-methyl-9-[4-(methylamino)pyrimidin-2-yl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-methyl-9-[4-(methylamino)pyrimidin-2-yl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID56906192
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name3-methyl-9-[4-(methylamino)pyrimidin-2-yl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCNc1ccnc(N2CCCC3(CN(C)C(=O)O3)C2)n1
InChIInChI=1S/C13H19N5O2/c1-14-10-4-6-15-11(16-10)18-7-3-5-13(9-18)8-17(2)12(19)20-13/h4,6H,3,5,7-9H2,1-2H3,(H,14,15,16)
InChIKeyFQXSWEVSBCLJOF-UHFFFAOYSA-N
XLogP0.94
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-[4-(methylamino)pyrimidin-2-yl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-methyl-9-[4-(methylamino)pyrimidin-2-yl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 56906192) is 3-methyl-9-[4-(methylamino)pyrimidin-2-yl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-methyl-9-[4-(methylamino)pyrimidin-2-yl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-methyl-9-[4-(methylamino)pyrimidin-2-yl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CNc1ccnc(N2CCCC3(CN(C)C(=O)O3)C2)n1.
What is the InChIKey of 3-methyl-9-[4-(methylamino)pyrimidin-2-yl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is FQXSWEVSBCLJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-14-10-4-6-15-11(16-10)18-7-3-5-13(9-18)8-17(2)12(19)20-13/h4,6H,3,5,7-9H2,1-2H3,(H,14,15,16).
What are the key properties of 3-methyl-9-[4-(methylamino)pyrimidin-2-yl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
3-methyl-9-[4-(methylamino)pyrimidin-2-yl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 277.33 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-[4-(methylamino)pyrimidin-2-yl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56906192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).