2-[3-(5-fluoropyrimidin-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide

C17H26FN5O2 — CID 97399410

IUPAC2-[3-(5-fluoropyrimidin-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCOCC2(CCN(c3ncc(F)cn3)CC2)C1
InChIInChI=1S/C17H26FN5O2/c1-21(2)15(24)11-22-7-8-25-13-17(12-22)3-5-23(6-4-17)16-19-9-14(18)10-20-16/h9-10H,3-8,11-13H2,1-2H3
InChIKeyHCRAEXOJJOYWET-UHFFFAOYSA-N
MW351.43 g/mol
LogP0.62
Rot. Bonds3

About 2-[3-(5-fluoropyrimidin-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide

2-[3-(5-fluoropyrimidin-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide (PubChem CID 97399410) has the molecular formula C17H26FN5O2 and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-[3-(5-fluoropyrimidin-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-(5-fluoropyrimidin-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide
PubChem CID97399410
Molecular FormulaC17H26FN5O2
Molecular Weight351.43 g/mol
Exact Mass351.21
IUPAC Name2-[3-(5-fluoropyrimidin-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCOCC2(CCN(c3ncc(F)cn3)CC2)C1
InChIInChI=1S/C17H26FN5O2/c1-21(2)15(24)11-22-7-8-25-13-17(12-22)3-5-23(6-4-17)16-19-9-14(18)10-20-16/h9-10H,3-8,11-13H2,1-2H3
InChIKeyHCRAEXOJJOYWET-UHFFFAOYSA-N
XLogP0.62
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-fluoropyrimidin-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-(5-fluoropyrimidin-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide (CID 97399410) is 2-[3-(5-fluoropyrimidin-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-(5-fluoropyrimidin-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-(5-fluoropyrimidin-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCOCC2(CCN(c3ncc(F)cn3)CC2)C1.
What is the InChIKey of 2-[3-(5-fluoropyrimidin-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide?
The InChIKey is HCRAEXOJJOYWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN5O2/c1-21(2)15(24)11-22-7-8-25-13-17(12-22)3-5-23(6-4-17)16-19-9-14(18)10-20-16/h9-10H,3-8,11-13H2,1-2H3.
What are the key properties of 2-[3-(5-fluoropyrimidin-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide?
2-[3-(5-fluoropyrimidin-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide has a molecular weight of 351.43 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-fluoropyrimidin-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 97399410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).