2-[[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide

C15H21FN4O3 — CID 124811413

IUPAC2-[[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CO[C@H]1CCOC2(C1)CN(c1ncc(F)cn1)C2
InChIInChI=1S/C15H21FN4O3/c1-19(2)13(21)8-22-12-3-4-23-15(5-12)9-20(10-15)14-17-6-11(16)7-18-14/h6-7,12H,3-5,8-10H2,1-2H3/t12-/m0/s1
InChIKeyXMIQGTGCEANJTK-LBPRGKRZSA-N
MW324.36 g/mol
LogP0.46
Rot. Bonds4

About 2-[[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide

2-[[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide (PubChem CID 124811413) has the molecular formula C15H21FN4O3 and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-[[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide
PubChem CID124811413
Molecular FormulaC15H21FN4O3
Molecular Weight324.36 g/mol
Exact Mass324.16
IUPAC Name2-[[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CO[C@H]1CCOC2(C1)CN(c1ncc(F)cn1)C2
InChIInChI=1S/C15H21FN4O3/c1-19(2)13(21)8-22-12-3-4-23-15(5-12)9-20(10-15)14-17-6-11(16)7-18-14/h6-7,12H,3-5,8-10H2,1-2H3/t12-/m0/s1
InChIKeyXMIQGTGCEANJTK-LBPRGKRZSA-N
XLogP0.46
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[8-(5-Fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-2-hydroxyethanone
CID 118743025
2-[(3R,4S)-3-[(5-fluoropyrimidin-2-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide
CID 91779317
2-[[(3R,5S)-7-(5-fluoropyrimidin-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]-N,N-dimethylacetamide
CID 97476911
1-[(6R)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-2-hydroxyethanone
CID 97492487
1-[(6S)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-2-hydroxyethanone
CID 97492488
1-(3-((5-Fluoropyrimidin-2-yl)oxy)piperidin-1-yl)-2-methoxyethanone
CID 122160230
2-Ethoxy-1-(3-((5-fluoropyrimidin-2-yl)oxy)piperidin-1-yl)ethanone
CID 122258300
1-(3-((5-Fluoropyrimidin-2-yl)oxy)piperidin-1-yl)-2-methyl-1-oxopropan-2-yl acetate
CID 122258526
2-[[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 124785538
2-[[(8R)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 124785539
2-[2-[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-1-pyrrolidin-1-ylethanone
CID 124785922
2-[2-[(8R)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-1-pyrrolidin-1-ylethanone
CID 124785923

Frequently Asked Questions

What is the IUPAC name of 2-[[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide (CID 124811413) is 2-[[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide is CN(C)C(=O)CO[C@H]1CCOC2(C1)CN(c1ncc(F)cn1)C2.
What is the InChIKey of 2-[[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide?
The InChIKey is XMIQGTGCEANJTK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21FN4O3/c1-19(2)13(21)8-22-12-3-4-23-15(5-12)9-20(10-15)14-17-6-11(16)7-18-14/h6-7,12H,3-5,8-10H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-[[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide?
2-[[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide has a molecular weight of 324.36 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide is sourced from PubChem (CID 124811413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).