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

C17H24N4O4 — CID 131688186

IUPAC(5S,9S)-2-(2-methoxyethyl)-7-(5-methoxypyrimidine-2-carbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOCCN1CC[C@]2(CN(C(=O)c3ncc(OC)cn3)C[C@H]2C)C1=O
InChIInChI=1S/C17H24N4O4/c1-12-10-21(15(22)14-18-8-13(25-3)9-19-14)11-17(12)4-5-20(16(17)23)6-7-24-2/h8-9,12H,4-7,10-11H2,1-3H3/t12-,17-/m1/s1
InChIKeyQWTQPOXWDVJMHR-SJKOYZFVSA-N
MW348.40 g/mol
LogP0.44
Rot. Bonds5

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

(5S,9S)-2-(2-methoxyethyl)-7-(5-methoxypyrimidine-2-carbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 131688186) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is (5S,9S)-2-(2-methoxyethyl)-7-(5-methoxypyrimidine-2-carbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5S,9S)-2-(2-methoxyethyl)-7-(5-methoxypyrimidine-2-carbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID131688186
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name(5S,9S)-2-(2-methoxyethyl)-7-(5-methoxypyrimidine-2-carbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOCCN1CC[C@]2(CN(C(=O)c3ncc(OC)cn3)C[C@H]2C)C1=O
InChIInChI=1S/C17H24N4O4/c1-12-10-21(15(22)14-18-8-13(25-3)9-19-14)11-17(12)4-5-20(16(17)23)6-7-24-2/h8-9,12H,4-7,10-11H2,1-3H3/t12-,17-/m1/s1
InChIKeyQWTQPOXWDVJMHR-SJKOYZFVSA-N
XLogP0.44
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5S,9S)-7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
CID 97471691
(5R,9R)-7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
CID 124789018
1-{2-[1-(5-Methoxy-2-pyrimidinyl)-4-piperidinyl]ethyl}-2-pyrrolidinone
CID 70785231
(3aS*,6aS*)-2-(N,N-dimethylglycyl)-5-(5-methoxy-2-pyrimidinyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxylic acid
CID 72889134
(5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97471692
N,N-dimethyl-2-[(5R,9R)-9-methyl-7-(5-methylpyrimidin-2-yl)-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]acetamide
CID 97471739
(5R,9R)-2-(2-methoxyethyl)-9-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 124913278
(5-Methoxypyrimidin-2-yl)-[7-(2-methylpropyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone
CID 131683860
(5-Methoxypyrimidin-2-yl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone
CID 131683910
2-(Cyclobutylmethyl)-8-(5-methoxypyrimidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131684723
2-(2-Methoxyethyl)-9-(5-methoxypyrimidine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 131684761
N-[6-(5-methoxypyrimidine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide
CID 131686364

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-2-(2-methoxyethyl)-7-(5-methoxypyrimidine-2-carbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5S,9S)-2-(2-methoxyethyl)-7-(5-methoxypyrimidine-2-carbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one (CID 131688186) is (5S,9S)-2-(2-methoxyethyl)-7-(5-methoxypyrimidine-2-carbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S,9S)-2-(2-methoxyethyl)-7-(5-methoxypyrimidine-2-carbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S,9S)-2-(2-methoxyethyl)-7-(5-methoxypyrimidine-2-carbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one is COCCN1CC[C@]2(CN(C(=O)c3ncc(OC)cn3)C[C@H]2C)C1=O.
What is the InChIKey of (5S,9S)-2-(2-methoxyethyl)-7-(5-methoxypyrimidine-2-carbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is QWTQPOXWDVJMHR-SJKOYZFVSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-12-10-21(15(22)14-18-8-13(25-3)9-19-14)11-17(12)4-5-20(16(17)23)6-7-24-2/h8-9,12H,4-7,10-11H2,1-3H3/t12-,17-/m1/s1.
What are the key properties of (5S,9S)-2-(2-methoxyethyl)-7-(5-methoxypyrimidine-2-carbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one?
(5S,9S)-2-(2-methoxyethyl)-7-(5-methoxypyrimidine-2-carbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 348.40 g/mol, XLogP of 0.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-2-(2-methoxyethyl)-7-(5-methoxypyrimidine-2-carbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 131688186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).