2-methyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one

C13H19N3O3 — CID 102930501

IUPAC2-methyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one
SMILESCc1nc(OC2COC3(CCNCC3)C2)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O3/c1-9-15-11(17)6-12(16-9)19-10-7-13(18-8-10)2-4-14-5-3-13/h6,10,14H,2-5,7-8H2,1H3,(H,15,16,17)
InChIKeyIIASREXHGDJMAN-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.37
Rot. Bonds2

About 2-methyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one

2-methyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one (PubChem CID 102930501) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-methyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one
PubChem CID102930501
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-methyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one
SMILESCc1nc(OC2COC3(CCNCC3)C2)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O3/c1-9-15-11(17)6-12(16-9)19-10-7-13(18-8-10)2-4-14-5-3-13/h6,10,14H,2-5,7-8H2,1H3,(H,15,16,17)
InChIKeyIIASREXHGDJMAN-UHFFFAOYSA-N
XLogP0.37
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one (CID 102930501) is 2-methyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one is Cc1nc(OC2COC3(CCNCC3)C2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one?
The InChIKey is IIASREXHGDJMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-15-11(17)6-12(16-9)19-10-7-13(18-8-10)2-4-14-5-3-13/h6,10,14H,2-5,7-8H2,1H3,(H,15,16,17).
What are the key properties of 2-methyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one?
2-methyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one has a molecular weight of 265.31 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 102930501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).