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

C15H22N4O3 — CID 97450999

IUPAC2-methoxy-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
SMILESCOCC(=O)N1CCC2(CC1)CN(c1ncccn1)CCO2
InChIInChI=1S/C15H22N4O3/c1-21-11-13(20)18-7-3-15(4-8-18)12-19(9-10-22-15)14-16-5-2-6-17-14/h2,5-6H,3-4,7-12H2,1H3
InChIKeyKDLADUBJDBDZHP-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.32
Rot. Bonds3

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

2-methoxy-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone (PubChem CID 97450999) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-methoxy-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
PubChem CID97450999
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name2-methoxy-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
SMILESCOCC(=O)N1CCC2(CC1)CN(c1ncccn1)CCO2
InChIInChI=1S/C15H22N4O3/c1-21-11-13(20)18-7-3-15(4-8-18)12-19(9-10-22-15)14-16-5-2-6-17-14/h2,5-6H,3-4,7-12H2,1H3
InChIKeyKDLADUBJDBDZHP-UHFFFAOYSA-N
XLogP0.32
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The IUPAC name of 2-methoxy-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone (CID 97450999) is 2-methoxy-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone is COCC(=O)N1CCC2(CC1)CN(c1ncccn1)CCO2.
What is the InChIKey of 2-methoxy-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The InChIKey is KDLADUBJDBDZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-21-11-13(20)18-7-3-15(4-8-18)12-19(9-10-22-15)14-16-5-2-6-17-14/h2,5-6H,3-4,7-12H2,1H3.
What are the key properties of 2-methoxy-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
2-methoxy-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone has a molecular weight of 306.37 g/mol, XLogP of 0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone is sourced from PubChem (CID 97450999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).