2-[9-(5-fluoropyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid

C18H25F4N5O3 — CID 118742689

IUPAC2-[9-(5-fluoropyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)CN1CCCC12CCCN(c1ncc(F)cn1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C16H24FN5O.C2HF3O2/c1-20(2)14(23)11-22-8-4-6-16(22)5-3-7-21(12-16)15-18-9-13(17)10-19-15;3-2(4,5)1(6)7/h9-10H,3-8,11-12H2,1-2H3;(H,6,7)
InChIKeyOIFYMNSSBCERCK-UHFFFAOYSA-N
MW435.42 g/mol
LogP1.77
Rot. Bonds3

About 2-[9-(5-fluoropyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid

2-[9-(5-fluoropyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 118742689) has the molecular formula C18H25F4N5O3 and a molecular weight of 435.42 g/mol. Its IUPAC name is 2-[9-(5-fluoropyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[9-(5-fluoropyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
PubChem CID118742689
Molecular FormulaC18H25F4N5O3
Molecular Weight435.42 g/mol
Exact Mass435.19
IUPAC Name2-[9-(5-fluoropyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)CN1CCCC12CCCN(c1ncc(F)cn1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C16H24FN5O.C2HF3O2/c1-20(2)14(23)11-22-8-4-6-16(22)5-3-7-21(12-16)15-18-9-13(17)10-19-15;3-2(4,5)1(6)7/h9-10H,3-8,11-12H2,1-2H3;(H,6,7)
InChIKeyOIFYMNSSBCERCK-UHFFFAOYSA-N
XLogP1.77
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5R)-2-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-9-yl]-N,N-dimethylacetamide
CID 97482392
N,N-dimethyl-2-[1-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155834624
2-(dimethylamino)-1-[9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 134080137
2-(5-fluoropyrimidin-2-yl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one;2,2,2-trifluoroacetic acid
CID 155857560
3-fluoro-1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 126856917
(5R)-2,9-bis(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 97450270
2-[(5S)-2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-9-yl]-N,N-dimethylacetamide
CID 97482395
9-(3-fluorophenyl)-2-(5-fluoropyrimidin-2-yl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 155857624
2-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-1-methyl-1,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155843728
2-[[(4aS,8aS)-6-(5-fluoropyrimidin-2-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
CID 97363769
2-[[(3R,5S)-7-(5-fluoropyrimidin-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]-N,N-dimethylacetamide
CID 97476911
(3S,5S)-9-(5-fluoropyrimidin-2-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155852021

Frequently Asked Questions

What is the IUPAC name of 2-[9-(5-fluoropyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[9-(5-fluoropyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid (CID 118742689) is 2-[9-(5-fluoropyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[9-(5-fluoropyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[9-(5-fluoropyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)CN1CCCC12CCCN(c1ncc(F)cn1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[9-(5-fluoropyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is OIFYMNSSBCERCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN5O.C2HF3O2/c1-20(2)14(23)11-22-8-4-6-16(22)5-3-7-21(12-16)15-18-9-13(17)10-19-15;3-2(4,5)1(6)7/h9-10H,3-8,11-12H2,1-2H3;(H,6,7).
What are the key properties of 2-[9-(5-fluoropyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?
2-[9-(5-fluoropyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 435.42 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(5-fluoropyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).