2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone

C17H26N4O2 — CID 56879898

IUPAC2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
SMILESCc1nc(N)nc(C)c1CC(=O)N1CCC2(CCOCC2)CC1
InChIInChI=1S/C17H26N4O2/c1-12-14(13(2)20-16(18)19-12)11-15(22)21-7-3-17(4-8-21)5-9-23-10-6-17/h3-11H2,1-2H3,(H2,18,19,20)
InChIKeyHXMGGISWKJWWOS-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.64
Rot. Bonds2

About 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone

2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone (PubChem CID 56879898) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone.

Molecular Properties

Compound Name2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
PubChem CID56879898
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
SMILESCc1nc(N)nc(C)c1CC(=O)N1CCC2(CCOCC2)CC1
InChIInChI=1S/C17H26N4O2/c1-12-14(13(2)20-16(18)19-12)11-15(22)21-7-3-17(4-8-21)5-9-23-10-6-17/h3-11H2,1-2H3,(H2,18,19,20)
InChIKeyHXMGGISWKJWWOS-UHFFFAOYSA-N
XLogP1.64
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone?
The IUPAC name of 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone (CID 56879898) is 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone.
What is the SMILES notation for 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone?
The canonical SMILES for 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone is Cc1nc(N)nc(C)c1CC(=O)N1CCC2(CCOCC2)CC1.
What is the InChIKey of 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone?
The InChIKey is HXMGGISWKJWWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12-14(13(2)20-16(18)19-12)11-15(22)21-7-3-17(4-8-21)5-9-23-10-6-17/h3-11H2,1-2H3,(H2,18,19,20).
What are the key properties of 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone?
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone has a molecular weight of 318.42 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone is sourced from PubChem (CID 56879898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).