2-[2-(5-fluoropyrimidin-2-yl)-9-methyl-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]-N,N-dimethylacetamide

C16H23FN6O2 — CID 131647528

IUPAC2-[2-(5-fluoropyrimidin-2-yl)-9-methyl-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(C)C(=O)C12CCN(c1ncc(F)cn1)C2
InChIInChI=1S/C16H23FN6O2/c1-20(2)13(24)10-23-7-6-21(3)14(25)16(23)4-5-22(11-16)15-18-8-12(17)9-19-15/h8-9H,4-7,10-11H2,1-3H3
InChIKeyWUQMZPNSFQPHLQ-UHFFFAOYSA-N
MW350.40 g/mol
LogP-0.57
Rot. Bonds3

About 2-[2-(5-fluoropyrimidin-2-yl)-9-methyl-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]-N,N-dimethylacetamide

2-[2-(5-fluoropyrimidin-2-yl)-9-methyl-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]-N,N-dimethylacetamide (PubChem CID 131647528) has the molecular formula C16H23FN6O2 and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-[2-(5-fluoropyrimidin-2-yl)-9-methyl-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(5-fluoropyrimidin-2-yl)-9-methyl-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]-N,N-dimethylacetamide
PubChem CID131647528
Molecular FormulaC16H23FN6O2
Molecular Weight350.40 g/mol
Exact Mass350.19
IUPAC Name2-[2-(5-fluoropyrimidin-2-yl)-9-methyl-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(C)C(=O)C12CCN(c1ncc(F)cn1)C2
InChIInChI=1S/C16H23FN6O2/c1-20(2)13(24)10-23-7-6-21(3)14(25)16(23)4-5-22(11-16)15-18-8-12(17)9-19-15/h8-9H,4-7,10-11H2,1-3H3
InChIKeyWUQMZPNSFQPHLQ-UHFFFAOYSA-N
XLogP-0.57
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-fluoropyrimidin-2-yl)-9-methyl-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(5-fluoropyrimidin-2-yl)-9-methyl-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]-N,N-dimethylacetamide (CID 131647528) is 2-[2-(5-fluoropyrimidin-2-yl)-9-methyl-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(5-fluoropyrimidin-2-yl)-9-methyl-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(5-fluoropyrimidin-2-yl)-9-methyl-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCN(C)C(=O)C12CCN(c1ncc(F)cn1)C2.
What is the InChIKey of 2-[2-(5-fluoropyrimidin-2-yl)-9-methyl-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]-N,N-dimethylacetamide?
The InChIKey is WUQMZPNSFQPHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN6O2/c1-20(2)13(24)10-23-7-6-21(3)14(25)16(23)4-5-22(11-16)15-18-8-12(17)9-19-15/h8-9H,4-7,10-11H2,1-3H3.
What are the key properties of 2-[2-(5-fluoropyrimidin-2-yl)-9-methyl-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]-N,N-dimethylacetamide?
2-[2-(5-fluoropyrimidin-2-yl)-9-methyl-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]-N,N-dimethylacetamide has a molecular weight of 350.40 g/mol, XLogP of -0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-fluoropyrimidin-2-yl)-9-methyl-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 131647528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).