2-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid

C20H27F3N4O6 — CID 155862087

IUPAC2-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
SMILESCOc1cc(N2CC3(C2)OCCC3COCC(=O)N2CCCC2)ncn1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H26N4O4.C2HF3O2/c1-24-16-8-15(19-13-20-16)22-11-18(12-22)14(4-7-26-18)9-25-10-17(23)21-5-2-3-6-21;3-2(4,5)1(6)7/h8,13-14H,2-7,9-12H2,1H3;(H,6,7)
InChIKeyFZIVQRIIFYFIPF-UHFFFAOYSA-N
MW476.45 g/mol
LogP1.35
Rot. Bonds6

About 2-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid

2-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid (PubChem CID 155862087) has the molecular formula C20H27F3N4O6 and a molecular weight of 476.45 g/mol. Its IUPAC name is 2-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
PubChem CID155862087
Molecular FormulaC20H27F3N4O6
Molecular Weight476.45 g/mol
Exact Mass476.19
IUPAC Name2-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
SMILESCOc1cc(N2CC3(C2)OCCC3COCC(=O)N2CCCC2)ncn1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H26N4O4.C2HF3O2/c1-24-16-8-15(19-13-20-16)22-11-18(12-22)14(4-7-26-18)9-25-10-17(23)21-5-2-3-6-21;3-2(4,5)1(6)7/h8,13-14H,2-7,9-12H2,1H3;(H,6,7)
InChIKeyFZIVQRIIFYFIPF-UHFFFAOYSA-N
XLogP1.35
TPSA114.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.45
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

1-[[2-(6-Methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 155826088
1-[4-(Methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155840169
1-[2-[2-[6-(Dimethylamino)pyrimidin-4-yl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 155847999
2-[(3aS,6aR)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-1-(3,3-difluoroazetidin-1-yl)ethanone;2,2,2-trifluoroacetic acid
CID 155851858
1-[[2-(6-Methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one;2,2,2-trifluoroacetic acid
CID 155856243
2-[[(3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155861413
2-[[2-(6-methoxypyrimidin-4-yl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155861508
2-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155861702
2-[[2-(6-Methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 155865136
2-[[2-(6-methoxypyrimidin-4-yl)-5-methyl-2,5-diazaspiro[3.4]octan-7-yl]methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)
CID 155866576
2-methoxy-N-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
CID 155868779
2-[[(8S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 124797049

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid (CID 155862087) is 2-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid is COc1cc(N2CC3(C2)OCCC3COCC(=O)N2CCCC2)ncn1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid?
The InChIKey is FZIVQRIIFYFIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4.C2HF3O2/c1-24-16-8-15(19-13-20-16)22-11-18(12-22)14(4-7-26-18)9-25-10-17(23)21-5-2-3-6-21;3-2(4,5)1(6)7/h8,13-14H,2-7,9-12H2,1H3;(H,6,7).
What are the key properties of 2-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid?
2-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid has a molecular weight of 476.45 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155862087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).