2-(5,6-dimethylpyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C17H26N4O2 — CID 72931538

IUPAC2-(5,6-dimethylpyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(c3ncnc(C)c3C)C2)C1=O
InChIInChI=1S/C17H26N4O2/c1-13-14(2)18-12-19-15(13)21-8-6-17(11-21)5-4-7-20(16(17)22)9-10-23-3/h12H,4-11H2,1-3H3
InChIKeyUCRMLFFEPIDMTL-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.56
Rot. Bonds4

About 2-(5,6-dimethylpyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

2-(5,6-dimethylpyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72931538) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(5,6-dimethylpyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(5,6-dimethylpyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72931538
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-(5,6-dimethylpyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(c3ncnc(C)c3C)C2)C1=O
InChIInChI=1S/C17H26N4O2/c1-13-14(2)18-12-19-15(13)21-8-6-17(11-21)5-4-7-20(16(17)22)9-10-23-3/h12H,4-11H2,1-3H3
InChIKeyUCRMLFFEPIDMTL-UHFFFAOYSA-N
XLogP1.56
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylpyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(5,6-dimethylpyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72931538) is 2-(5,6-dimethylpyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(5,6-dimethylpyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(5,6-dimethylpyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCCC2(CCN(c3ncnc(C)c3C)C2)C1=O.
What is the InChIKey of 2-(5,6-dimethylpyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is UCRMLFFEPIDMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13-14(2)18-12-19-15(13)21-8-6-17(11-21)5-4-7-20(16(17)22)9-10-23-3/h12H,4-11H2,1-3H3.
What are the key properties of 2-(5,6-dimethylpyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
2-(5,6-dimethylpyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 318.42 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylpyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72931538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).