(5R,9R)-2-(2-methoxyethyl)-9-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one

C16H24N4O2 — CID 124913278

IUPAC(5R,9R)-2-(2-methoxyethyl)-9-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOCCN1CC[C@@]2(CN(c3ncc(C)cn3)C[C@@H]2C)C1=O
InChIInChI=1S/C16H24N4O2/c1-12-8-17-15(18-9-12)20-10-13(2)16(11-20)4-5-19(14(16)21)6-7-22-3/h8-9,13H,4-7,10-11H2,1-3H3/t13-,16-/m0/s1
InChIKeyREIPYEYLPICATE-BBRMVZONSA-N
MW304.39 g/mol
LogP1.11
Rot. Bonds4

About (5R,9R)-2-(2-methoxyethyl)-9-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one

(5R,9R)-2-(2-methoxyethyl)-9-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 124913278) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (5R,9R)-2-(2-methoxyethyl)-9-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5R,9R)-2-(2-methoxyethyl)-9-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID124913278
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(5R,9R)-2-(2-methoxyethyl)-9-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOCCN1CC[C@@]2(CN(c3ncc(C)cn3)C[C@@H]2C)C1=O
InChIInChI=1S/C16H24N4O2/c1-12-8-17-15(18-9-12)20-10-13(2)16(11-20)4-5-19(14(16)21)6-7-22-3/h8-9,13H,4-7,10-11H2,1-3H3/t13-,16-/m0/s1
InChIKeyREIPYEYLPICATE-BBRMVZONSA-N
XLogP1.11
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R,9R)-2-(2-methoxyethyl)-9-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5R,9R)-2-(2-methoxyethyl)-9-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one (CID 124913278) is (5R,9R)-2-(2-methoxyethyl)-9-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5R,9R)-2-(2-methoxyethyl)-9-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5R,9R)-2-(2-methoxyethyl)-9-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one is COCCN1CC[C@@]2(CN(c3ncc(C)cn3)C[C@@H]2C)C1=O.
What is the InChIKey of (5R,9R)-2-(2-methoxyethyl)-9-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is REIPYEYLPICATE-BBRMVZONSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12-8-17-15(18-9-12)20-10-13(2)16(11-20)4-5-19(14(16)21)6-7-22-3/h8-9,13H,4-7,10-11H2,1-3H3/t13-,16-/m0/s1.
What are the key properties of (5R,9R)-2-(2-methoxyethyl)-9-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one?
(5R,9R)-2-(2-methoxyethyl)-9-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 304.39 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R)-2-(2-methoxyethyl)-9-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 124913278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).