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

C16H24N4O2 — CID 97471692

IUPAC(5S,9S)-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-/m1/s1
InChIKeyREIPYEYLPICATE-CZUORRHYSA-N
MW304.39 g/mol
LogP1.11
Rot. Bonds4

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

(5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97471692) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID97471692
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(5S,9S)-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-/m1/s1
InChIKeyREIPYEYLPICATE-CZUORRHYSA-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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Related Compounds

(3aR,6aS)-2-(5-fluoropyrimidin-2-yl)-5-(2-methoxyethyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97409785
2-(2-Methoxyethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97449740
2-(Cyclopropylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449786
2-(Cyclopentylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449802
(3aR,6aS)-5-(2-methoxyethyl)-2-pyrimidin-2-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97507505
[2-(5-Methylpyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
CID 118739019
(5S)-7-cyclopentyl-2-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97151443
2-(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72908338
(5R)-2-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97203090
(5S)-2-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97203091
8-(5-Fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449741
(5S,9S)-7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
CID 97471691

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one (CID 97471692) is (5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S,9S)-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 (5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is REIPYEYLPICATE-CZUORRHYSA-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-/m1/s1.
What are the key properties of (5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one?
(5S,9S)-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 (5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97471692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).