[7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(5-methoxypyrimidin-2-yl)methanone

C15H22N4O3 — CID 131688909

IUPAC[7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(5-methoxypyrimidin-2-yl)methanone
SMILESCOCCN1CCC2(C1)CN(C(=O)c1ncc(OC)cn1)C2
InChIInChI=1S/C15H22N4O3/c1-21-6-5-18-4-3-15(9-18)10-19(11-15)14(20)13-16-7-12(22-2)8-17-13/h7-8H,3-6,9-11H2,1-2H3
InChIKeySREADFIJAQZXDB-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.28
Rot. Bonds5

About [7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(5-methoxypyrimidin-2-yl)methanone

[7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(5-methoxypyrimidin-2-yl)methanone (PubChem CID 131688909) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is [7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(5-methoxypyrimidin-2-yl)methanone.

Molecular Properties

Compound Name[7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(5-methoxypyrimidin-2-yl)methanone
PubChem CID131688909
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name[7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(5-methoxypyrimidin-2-yl)methanone
SMILESCOCCN1CCC2(C1)CN(C(=O)c1ncc(OC)cn1)C2
InChIInChI=1S/C15H22N4O3/c1-21-6-5-18-4-3-15(9-18)10-19(11-15)14(20)13-16-7-12(22-2)8-17-13/h7-8H,3-6,9-11H2,1-2H3
InChIKeySREADFIJAQZXDB-UHFFFAOYSA-N
XLogP0.28
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(5-methoxypyrimidin-2-yl)methanone?
The IUPAC name of [7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(5-methoxypyrimidin-2-yl)methanone (CID 131688909) is [7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(5-methoxypyrimidin-2-yl)methanone.
What is the SMILES notation for [7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(5-methoxypyrimidin-2-yl)methanone?
The canonical SMILES for [7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(5-methoxypyrimidin-2-yl)methanone is COCCN1CCC2(C1)CN(C(=O)c1ncc(OC)cn1)C2.
What is the InChIKey of [7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(5-methoxypyrimidin-2-yl)methanone?
The InChIKey is SREADFIJAQZXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-21-6-5-18-4-3-15(9-18)10-19(11-15)14(20)13-16-7-12(22-2)8-17-13/h7-8H,3-6,9-11H2,1-2H3.
What are the key properties of [7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(5-methoxypyrimidin-2-yl)methanone?
[7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(5-methoxypyrimidin-2-yl)methanone has a molecular weight of 306.37 g/mol, XLogP of 0.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(5-methoxypyrimidin-2-yl)methanone is sourced from PubChem (CID 131688909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).