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

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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).