2-(dimethylamino)-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone

C16H25N5O2 — CID 97450998

IUPAC2-(dimethylamino)-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
SMILESCN(C)CC(=O)N1CCC2(CC1)CN(c1ncccn1)CCO2
InChIInChI=1S/C16H25N5O2/c1-19(2)12-14(22)20-8-4-16(5-9-20)13-21(10-11-23-16)15-17-6-3-7-18-15/h3,6-7H,4-5,8-13H2,1-2H3
InChIKeyZOFHBHZLVWGLAE-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.24
Rot. Bonds3

About 2-(dimethylamino)-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone

2-(dimethylamino)-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone (PubChem CID 97450998) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
PubChem CID97450998
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name2-(dimethylamino)-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
SMILESCN(C)CC(=O)N1CCC2(CC1)CN(c1ncccn1)CCO2
InChIInChI=1S/C16H25N5O2/c1-19(2)12-14(22)20-8-4-16(5-9-20)13-21(10-11-23-16)15-17-6-3-7-18-15/h3,6-7H,4-5,8-13H2,1-2H3
InChIKeyZOFHBHZLVWGLAE-UHFFFAOYSA-N
XLogP0.24
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone (CID 97450998) is 2-(dimethylamino)-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone is CN(C)CC(=O)N1CCC2(CC1)CN(c1ncccn1)CCO2.
What is the InChIKey of 2-(dimethylamino)-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The InChIKey is ZOFHBHZLVWGLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-19(2)12-14(22)20-8-4-16(5-9-20)13-21(10-11-23-16)15-17-6-3-7-18-15/h3,6-7H,4-5,8-13H2,1-2H3.
What are the key properties of 2-(dimethylamino)-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
2-(dimethylamino)-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone has a molecular weight of 319.41 g/mol, XLogP of 0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone is sourced from PubChem (CID 97450998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).