2-(5-fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid

C15H20F4N4O3 — CID 118742992

IUPAC2-(5-fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCC2(C1)CN(c1ncc(F)cn1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C13H19FN4O.C2HF3O2/c1-19-5-4-17-3-2-13(8-17)9-18(10-13)12-15-6-11(14)7-16-12;3-2(4,5)1(6)7/h6-7H,2-5,8-10H2,1H3;(H,6,7)
InChIKeyGNKFACYWUVFRHC-UHFFFAOYSA-N
MW380.34 g/mol
LogP1.41
Rot. Bonds4

About 2-(5-fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid

2-(5-fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid (PubChem CID 118742992) has the molecular formula C15H20F4N4O3 and a molecular weight of 380.34 g/mol. Its IUPAC name is 2-(5-fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(5-fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid
PubChem CID118742992
Molecular FormulaC15H20F4N4O3
Molecular Weight380.34 g/mol
Exact Mass380.15
IUPAC Name2-(5-fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCC2(C1)CN(c1ncc(F)cn1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C13H19FN4O.C2HF3O2/c1-19-5-4-17-3-2-13(8-17)9-18(10-13)12-15-6-11(14)7-16-12;3-2(4,5)1(6)7/h6-7H,2-5,8-10H2,1H3;(H,6,7)
InChIKeyGNKFACYWUVFRHC-UHFFFAOYSA-N
XLogP1.41
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-Fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane
CID 97472501
1-(2-Methoxyethyl)-7-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 118742714
7-(Cyclopropylmethyl)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 118742993
7-(2-Methoxyethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 118742994
7-(2-Methylpropyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 118745403
Ethyl 2-[8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]acetate
CID 168150460
2-[8-[5-(Trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl acetate
CID 170168818
2-(2-Methoxyethyl)-10-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155833415
1-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid)
CID 155838302
2-[2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155854773
7-(Cyclopropylmethyl)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 155869045
2-(5-Fluoropyrimidin-2-yl)-7-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 171693471

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(5-fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid (CID 118742992) is 2-(5-fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(5-fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(5-fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid is COCCN1CCC2(C1)CN(c1ncc(F)cn1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(5-fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid?
The InChIKey is GNKFACYWUVFRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O.C2HF3O2/c1-19-5-4-17-3-2-13(8-17)9-18(10-13)12-15-6-11(14)7-16-12;3-2(4,5)1(6)7/h6-7H,2-5,8-10H2,1H3;(H,6,7).
What are the key properties of 2-(5-fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid?
2-(5-fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid has a molecular weight of 380.34 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).