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

C15H21FN4O2 — CID 97471691

IUPAC(5S,9S)-7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOCCN1CC[C@]2(CN(c3ncc(F)cn3)C[C@H]2C)C1=O
InChIInChI=1S/C15H21FN4O2/c1-11-9-20(14-17-7-12(16)8-18-14)10-15(11)3-4-19(13(15)21)5-6-22-2/h7-8,11H,3-6,9-10H2,1-2H3/t11-,15-/m1/s1
InChIKeyBSYMCBAPXPWFSO-IAQYHMDHSA-N
MW308.36 g/mol
LogP0.94
Rot. Bonds4

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

(5S,9S)-7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97471691) has the molecular formula C15H21FN4O2 and a molecular weight of 308.36 g/mol. Its IUPAC name is (5S,9S)-7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5S,9S)-7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID97471691
Molecular FormulaC15H21FN4O2
Molecular Weight308.36 g/mol
Exact Mass308.16
IUPAC Name(5S,9S)-7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOCCN1CC[C@]2(CN(c3ncc(F)cn3)C[C@H]2C)C1=O
InChIInChI=1S/C15H21FN4O2/c1-11-9-20(14-17-7-12(16)8-18-14)10-15(11)3-4-19(13(15)21)5-6-22-2/h7-8,11H,3-6,9-10H2,1-2H3/t11-,15-/m1/s1
InChIKeyBSYMCBAPXPWFSO-IAQYHMDHSA-N
XLogP0.94
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(5-Fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 97385434
(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-(Cyclopentylmethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449801
8-(5-Fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493741
(3aR,6aS)-5-(2-methoxyethyl)-2-pyrimidin-2-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97507505
(3aR,6aS)-5-(cyclopropylmethyl)-2-(5-fluoropyrimidin-2-yl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97507555
[2-(5-Fluoropyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
CID 118739029
9-(5-Fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 118739626
2,5-Dihydropyrrol-1-yl-[2-(5-fluoropyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone
CID 118742783
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

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5S,9S)-7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one (CID 97471691) is (5S,9S)-7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S,9S)-7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S,9S)-7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one is COCCN1CC[C@]2(CN(c3ncc(F)cn3)C[C@H]2C)C1=O.
What is the InChIKey of (5S,9S)-7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is BSYMCBAPXPWFSO-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H21FN4O2/c1-11-9-20(14-17-7-12(16)8-18-14)10-15(11)3-4-19(13(15)21)5-6-22-2/h7-8,11H,3-6,9-10H2,1-2H3/t11-,15-/m1/s1.
What are the key properties of (5S,9S)-7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one?
(5S,9S)-7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 308.36 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97471691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).