8-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid

C19H26F4N4O5 — CID 155824363

IUPAC8-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid
SMILESCOCCN1CC2(CCN(c3ncc(F)cn3)CC2)C(COC)C1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25FN4O3.C2HF3O2/c1-24-8-7-22-12-17(14(11-25-2)15(22)23)3-5-21(6-4-17)16-19-9-13(18)10-20-16;3-2(4,5)1(6)7/h9-10,14H,3-8,11-12H2,1-2H3;(H,6,7)
InChIKeyNPMCWCLKVSGQGE-UHFFFAOYSA-N
MW466.43 g/mol
LogP1.59
Rot. Bonds6

About 8-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid

8-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid (PubChem CID 155824363) has the molecular formula C19H26F4N4O5 and a molecular weight of 466.43 g/mol. Its IUPAC name is 8-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid
PubChem CID155824363
Molecular FormulaC19H26F4N4O5
Molecular Weight466.43 g/mol
Exact Mass466.18
IUPAC Name8-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid
SMILESCOCCN1CC2(CCN(c3ncc(F)cn3)CC2)C(COC)C1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25FN4O3.C2HF3O2/c1-24-8-7-22-12-17(14(11-25-2)15(22)23)3-5-21(6-4-17)16-19-9-13(18)10-20-16;3-2(4,5)1(6)7/h9-10,14H,3-8,11-12H2,1-2H3;(H,6,7)
InChIKeyNPMCWCLKVSGQGE-UHFFFAOYSA-N
XLogP1.59
TPSA105.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.43
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(3aR,7R,7aR)-2-(5-fluoropyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-morpholin-4-ylmethanone
CID 97364622
[2-(5-Fluoropyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
CID 118739029
2-(2-Methoxyethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 118742449
8-(5-Fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 118742584
2,5-Dihydropyrrol-1-yl-[2-(5-fluoropyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone;2,2,2-trifluoroacetic acid
CID 118742782
8-(5-Fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 118743944
2-(Cyclopropylmethyl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 118744474
[(3aR,7R,7aR)-2-(5-fluoropyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 127022368
[(1R,5S,6S)-3-(5-ethylpyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 127022444
2-(Cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 133137216
ethyl 4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate
CID 156313148
Ethyl 4-(3-hydroxy-2-oxopyrrolidin-1-yl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate
CID 156313150

Frequently Asked Questions

What is the IUPAC name of 8-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid (CID 155824363) is 8-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid is COCCN1CC2(CCN(c3ncc(F)cn3)CC2)C(COC)C1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 8-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid?
The InChIKey is NPMCWCLKVSGQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O3.C2HF3O2/c1-24-8-7-22-12-17(14(11-25-2)15(22)23)3-5-21(6-4-17)16-19-9-13(18)10-20-16;3-2(4,5)1(6)7/h9-10,14H,3-8,11-12H2,1-2H3;(H,6,7).
What are the key properties of 8-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid?
8-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid has a molecular weight of 466.43 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155824363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).