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

C16H24FN5O — CID 118742690

IUPAC2-[9-(5-fluoropyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCCC12CCCN(c1ncc(F)cn1)C2
InChIInChI=1S/C16H24FN5O/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/h9-10H,3-8,11-12H2,1-2H3
InChIKeyMTRJDTKNSRHSDN-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.14
Rot. Bonds3

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

2-[9-(5-fluoropyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide (PubChem CID 118742690) has the molecular formula C16H24FN5O and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-[9-(5-fluoropyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[9-(5-fluoropyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide
PubChem CID118742690
Molecular FormulaC16H24FN5O
Molecular Weight321.40 g/mol
Exact Mass321.20
IUPAC Name2-[9-(5-fluoropyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCCC12CCCN(c1ncc(F)cn1)C2
InChIInChI=1S/C16H24FN5O/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/h9-10H,3-8,11-12H2,1-2H3
InChIKeyMTRJDTKNSRHSDN-UHFFFAOYSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[9-(5-fluoropyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide with MolForge

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Related Compounds

8-(5-Fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 97385434
1-[(4aR,7aR)-1-(5-methylpyrimidin-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]ethanone
CID 97402629
2-(Cyclopentylmethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449801
[(2R,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 97458028
1-[(2S,3aR,7aS)-5-(5-fluoropyrimidin-2-yl)-1-propan-2-yl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine
CID 97460080
8-(5-Fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493741
8-(5-Fluoropyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493813
2-[(4aR,7aR)-1-(5-methylpyrimidin-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide
CID 97508742
1-[(2S,3aR,7aS)-5-(5-fluoropyrimidin-2-yl)-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine
CID 98777341
1-[(2S,3aR,7aS)-2-[(dimethylamino)methyl]-5-(5-fluoropyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-1-yl]ethanone
CID 98777348
2-[9-(5-fluoropyrimidin-2-yl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide
CID 118738969
6-Methyl-2-(5-methylpyrimidin-2-yl)-2,6-diazaspiro[4.5]decane
CID 118742199

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?
The IUPAC name of 2-[9-(5-fluoropyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide (CID 118742690) is 2-[9-(5-fluoropyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[9-(5-fluoropyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[9-(5-fluoropyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCCC12CCCN(c1ncc(F)cn1)C2.
What is the InChIKey of 2-[9-(5-fluoropyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide?
The InChIKey is MTRJDTKNSRHSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN5O/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/h9-10H,3-8,11-12H2,1-2H3.
What are the key properties of 2-[9-(5-fluoropyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide?
2-[9-(5-fluoropyrimidin-2-yl)-1,9-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide has a molecular weight of 321.40 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 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 is sourced from PubChem (CID 118742690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).